 Entering Gaussian System, Link 0=g16
 Input=09_L-alanine_conformer01_STD_LCPBE_augccpVDZ.in
 Output=09_L-alanine_conformer01_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-46315.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     46316.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=09_L-alanine_conformer01_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=036500000
 0,3/108=0365000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=365000000,108=365000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:15:26 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "09_L-alanine_conformer01_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.427002000000     -1.177442000000     -0.238479000000
  C                                                -0.641972000000     -0.024738000000      0.376681000000
  C                                                 0.861565000000     -0.144798000000      0.057109000000
  O                                                 1.452963000000     -1.189459000000      0.072265000000
  N                                                -1.120167000000      1.316111000000      0.005085000000
  O                                                 1.454628000000      1.025837000000     -0.203694000000
  H                                                -0.696010000000     -0.097667000000      1.466774000000
  H                                                -2.464827000000     -1.153806000000      0.096525000000
  H                                                -1.412823000000     -1.109205000000     -1.329075000000
  H                                                -0.983233000000     -2.130910000000      0.041168000000
  H                                                -1.537883000000      1.311542000000     -0.918614000000
  H                                                -1.812681000000      1.664603000000      0.653772000000
  H                                                 0.732350000000      1.693512000000     -0.166585000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     13 NQM=       13 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          14          16           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           2           0           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Mon Aug 16 21:15:26 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.427002   -1.177442   -0.238479
      2          6           0       -0.641972   -0.024738    0.376681
      3          6           0        0.861565   -0.144798    0.057109
      4          8           0        1.452963   -1.189459    0.072265
      5          7           0       -1.120167    1.316111    0.005085
      6          8           0        1.454628    1.025837   -0.203694
      7          1           0       -0.696010   -0.097667    1.466774
      8          1           0       -2.464827   -1.153806    0.096525
      9          1           0       -1.412823   -1.109205   -1.329075
     10          1           0       -0.983233   -2.130910    0.041168
     11          1           0       -1.537883    1.311542   -0.918614
     12          1           0       -1.812681    1.664603    0.653772
     13          1           0        0.732350    1.693512   -0.166585
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.524277   0.000000
     3  C    2.528095   1.541805   0.000000
     4  O    2.896706   2.416195   1.200541   0.000000
     5  N    2.524139   1.471268   2.462564   3.592129   0.000000
     6  O    3.627594   2.415838   1.337957   2.232419   2.599503
     7  H    2.146660   1.093865   2.101289   2.784735   2.077309
     8  H    1.090810   2.162425   3.476282   3.918027   2.813710
     9  H    1.092821   2.163304   2.832742   3.191069   2.783485
    10  H    1.088225   2.159858   2.710752   2.611962   3.449929
    11  H    2.582619   2.065451   2.971584   4.022687   1.013769
    12  H    3.003678   2.073936   3.283524   4.375871   1.010850
    13  H    3.593097   2.266337   1.856373   2.981250   1.898347
                    6          7          8          9         10
     6  O    0.000000
     7  H    2.945839   0.000000
     8  H    4.494786   2.474212   0.000000
     9  H    3.747954   3.058399   1.772297   0.000000
    10  H    3.996020   2.499785   1.775646   1.762383   0.000000
    11  H    3.089961   2.895634   2.822707   2.458482   3.616531
    12  H    3.437816   2.239090   2.946056   3.433013   3.933089
    13  H    0.984303   2.813609   4.289334   3.715962   4.196736
                   11         12         13
    11  H    0.000000
    12  H    1.634798   0.000000
    13  H    2.421860   2.674136   0.000000
 Stoichiometry    C3H7NO2
 Framework group  C1[X(C3H7NO2)]
 Deg. of freedom    33
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.33D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.427003   -1.177441   -0.238479
      2          6           0       -0.641972   -0.024738    0.376681
      3          6           0        0.861565   -0.144799    0.057109
      4          8           0        1.452962   -1.189460    0.072265
      5          7           0       -1.120166    1.316112    0.005085
      6          8           0        1.454629    1.025836   -0.203694
      7          1           0       -0.696010   -0.097667    1.466774
      8          1           0       -2.464828   -1.153804    0.096525
      9          1           0       -1.412824   -1.109204   -1.329075
     10          1           0       -0.983234   -2.130909    0.041168
     11          1           0       -1.537882    1.311543   -0.918614
     12          1           0       -1.812680    1.664604    0.653772
     13          1           0        0.732351    1.693511   -0.166585
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.8847515           3.4338653           2.1618198
 Leave Link  202 at Mon Aug 16 21:15:26 2021, MaxMem=  5637144576 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       7      8      9     10     11     12     13
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      6
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  18 primitive shells out of 224 were deleted.
 There are   213 symmetry adapted cartesian basis functions of A   symmetry.
 There are   201 symmetry adapted basis functions of A   symmetry.
   201 basis functions,   366 primitive gaussians,   213 cartesian basis functions
    24 alpha electrons       24 beta electrons
       nuclear repulsion energy       250.1931013526 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.365000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.365000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   13 NActive=   13 NUniq=   13 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:15:29 2021, MaxMem=  5637144576 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   201 RedAO= T EigKep=  2.48D-05  NBF=   201
 NBsUse=   201 1.00D-06 EigRej= -1.00D+00 NBFU=   201
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   213   213   213   213   213 MxSgAt=    13 MxSgA2=    13.
 Leave Link  302 at Mon Aug 16 21:15:29 2021, MaxMem=  5637144576 cpu:               2.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:15:29 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "09_L-alanine_conformer01_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:15:30 2021, MaxMem=  5637144576 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5637049991 LenY=  5637004181
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -322.866827778493    
 DIIS: error= 3.24D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -322.866827778493     IErMin= 1 ErrMin= 3.24D-03
 ErrMax= 3.24D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.59D-03 BMatP= 8.59D-03
 IDIUse=3 WtCom= 9.68D-01 WtEn= 3.24D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.441 Goal=   None    Shift=    0.000
 GapD=    0.441 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=5.58D-03 MaxDP=1.67D-01              OVMax= 1.62D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.58D-03    CP:  1.00D+00
 E= -322.874153810189     Delta-E=       -0.007326031696 Rises=F Damp=F
 DIIS: error= 1.77D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -322.874153810189     IErMin= 2 ErrMin= 1.77D-03
 ErrMax= 1.77D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-03 BMatP= 8.59D-03
 IDIUse=3 WtCom= 9.82D-01 WtEn= 1.77D-02
 Coeff-Com:  0.141D+00 0.859D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.138D+00 0.862D+00
 Gap=     0.395 Goal=   None    Shift=    0.000
 RMSDP=8.56D-04 MaxDP=3.41D-02 DE=-7.33D-03 OVMax= 1.04D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.35D-04    CP:  1.00D+00  1.10D+00
 E= -322.874545214022     Delta-E=       -0.000391403833 Rises=F Damp=F
 DIIS: error= 1.46D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -322.874545214022     IErMin= 3 ErrMin= 1.46D-03
 ErrMax= 1.46D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.33D-04 BMatP= 1.13D-03
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.46D-02
 Coeff-Com: -0.452D-01 0.464D+00 0.581D+00
 Coeff-En:   0.000D+00 0.349D+00 0.651D+00
 Coeff:     -0.446D-01 0.462D+00 0.582D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=3.35D-04 MaxDP=1.04D-02 DE=-3.91D-04 OVMax= 5.14D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.14D-04    CP:  1.00D+00  1.15D+00  1.04D+00
 E= -322.875125941503     Delta-E=       -0.000580727482 Rises=F Damp=F
 DIIS: error= 1.44D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -322.875125941503     IErMin= 4 ErrMin= 1.44D-04
 ErrMax= 1.44D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-05 BMatP= 8.33D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.44D-03
 Coeff-Com: -0.148D-01 0.701D-01 0.133D+00 0.812D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.148D-01 0.700D-01 0.133D+00 0.812D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=9.98D-05 MaxDP=4.61D-03 DE=-5.81D-04 OVMax= 1.28D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.49D-05    CP:  1.00D+00  1.16D+00  1.16D+00  1.14D+00
 E= -322.875135106769     Delta-E=       -0.000009165266 Rises=F Damp=F
 DIIS: error= 1.06D-04 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -322.875135106769     IErMin= 5 ErrMin= 1.06D-04
 ErrMax= 1.06D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.24D-06 BMatP= 1.08D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.06D-03
 Coeff-Com:  0.150D-02-0.545D-01-0.453D-01 0.439D+00 0.660D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.150D-02-0.545D-01-0.452D-01 0.438D+00 0.660D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=4.28D-05 MaxDP=2.00D-03 DE=-9.17D-06 OVMax= 7.24D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.81D-05    CP:  1.00D+00  1.16D+00  1.20D+00  1.23D+00  1.05D+00
 E= -322.875139617170     Delta-E=       -0.000004510401 Rises=F Damp=F
 DIIS: error= 1.53D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -322.875139617170     IErMin= 6 ErrMin= 1.53D-05
 ErrMax= 1.53D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.16D-07 BMatP= 5.24D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.191D-02-0.251D-01-0.279D-01 0.876D-01 0.231D+00 0.732D+00
 Coeff:      0.191D-02-0.251D-01-0.279D-01 0.876D-01 0.231D+00 0.732D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=9.19D-06 MaxDP=3.92D-04 DE=-4.51D-06 OVMax= 1.65D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.28D-06    CP:  1.00D+00  1.16D+00  1.21D+00  1.25D+00  1.10D+00
                    CP:  1.15D+00
 E= -322.875139858744     Delta-E=       -0.000000241573 Rises=F Damp=F
 DIIS: error= 4.81D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -322.875139858744     IErMin= 7 ErrMin= 4.81D-06
 ErrMax= 4.81D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.04D-08 BMatP= 2.16D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.272D-03 0.872D-03-0.110D-02-0.361D-01-0.232D-01 0.204D+00
 Coeff-Com:  0.856D+00
 Coeff:      0.272D-03 0.872D-03-0.110D-02-0.361D-01-0.232D-01 0.204D+00
 Coeff:      0.856D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=3.14D-06 MaxDP=1.71D-04 DE=-2.42D-07 OVMax= 8.70D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.75D-06    CP:  1.00D+00  1.16D+00  1.21D+00  1.25D+00  1.13D+00
                    CP:  1.24D+00  1.09D+00
 E= -322.875139893450     Delta-E=       -0.000000034707 Rises=F Damp=F
 DIIS: error= 2.01D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -322.875139893450     IErMin= 8 ErrMin= 2.01D-06
 ErrMax= 2.01D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.45D-09 BMatP= 2.04D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.113D-03 0.274D-02 0.253D-02-0.198D-01-0.290D-01-0.128D-01
 Coeff-Com:  0.258D+00 0.798D+00
 Coeff:     -0.113D-03 0.274D-02 0.253D-02-0.198D-01-0.290D-01-0.128D-01
 Coeff:      0.258D+00 0.798D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=1.03D-06 MaxDP=4.45D-05 DE=-3.47D-08 OVMax= 3.15D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.82D-07    CP:  1.00D+00  1.16D+00  1.21D+00  1.25D+00  1.14D+00
                    CP:  1.27D+00  1.14D+00  1.17D+00
 E= -322.875139897574     Delta-E=       -0.000000004123 Rises=F Damp=F
 DIIS: error= 6.50D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -322.875139897574     IErMin= 9 ErrMin= 6.50D-07
 ErrMax= 6.50D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.78D-10 BMatP= 2.45D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.545D-04 0.557D-03 0.773D-03-0.879D-03-0.453D-02-0.323D-01
 Coeff-Com: -0.446D-01 0.212D+00 0.869D+00
 Coeff:     -0.545D-04 0.557D-03 0.773D-03-0.879D-03-0.453D-02-0.323D-01
 Coeff:     -0.446D-01 0.212D+00 0.869D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=3.58D-07 MaxDP=1.60D-05 DE=-4.12D-09 OVMax= 1.45D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.87D-07    CP:  1.00D+00  1.16D+00  1.21D+00  1.25D+00  1.14D+00
                    CP:  1.27D+00  1.17D+00  1.29D+00  1.17D+00
 E= -322.875139898192     Delta-E=       -0.000000000619 Rises=F Damp=F
 DIIS: error= 1.98D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -322.875139898192     IErMin=10 ErrMin= 1.98D-07
 ErrMax= 1.98D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.00D-11 BMatP= 2.78D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.671D-05-0.243D-03-0.190D-03 0.216D-02 0.314D-02-0.194D-02
 Coeff-Com: -0.316D-01-0.662D-01 0.831D-01 0.101D+01
 Coeff:      0.671D-05-0.243D-03-0.190D-03 0.216D-02 0.314D-02-0.194D-02
 Coeff:     -0.316D-01-0.662D-01 0.831D-01 0.101D+01
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=1.42D-07 MaxDP=8.24D-06 DE=-6.19D-10 OVMax= 5.69D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.68D-08    CP:  1.00D+00  1.16D+00  1.21D+00  1.25D+00  1.14D+00
                    CP:  1.27D+00  1.16D+00  1.31D+00  1.29D+00  1.25D+00
 E= -322.875139898256     Delta-E=       -0.000000000064 Rises=F Damp=F
 DIIS: error= 5.72D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -322.875139898256     IErMin=11 ErrMin= 5.72D-08
 ErrMax= 5.72D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.97D-12 BMatP= 2.00D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.524D-05-0.885D-04-0.100D-03 0.430D-03 0.957D-03 0.222D-02
 Coeff-Com: -0.237D-02-0.287D-01-0.546D-01 0.173D+00 0.909D+00
 Coeff:      0.524D-05-0.885D-04-0.100D-03 0.430D-03 0.957D-03 0.222D-02
 Coeff:     -0.237D-02-0.287D-01-0.546D-01 0.173D+00 0.909D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=3.25D-08 MaxDP=9.72D-07 DE=-6.36D-11 OVMax= 1.81D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.96D-08    CP:  1.00D+00  1.16D+00  1.21D+00  1.25D+00  1.14D+00
                    CP:  1.27D+00  1.16D+00  1.31D+00  1.31D+00  1.36D+00
                    CP:  1.14D+00
 E= -322.875139898260     Delta-E=       -0.000000000004 Rises=F Damp=F
 DIIS: error= 2.21D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -322.875139898260     IErMin=12 ErrMin= 2.21D-08
 ErrMax= 2.21D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.41D-13 BMatP= 1.97D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.957D-07 0.194D-04 0.913D-05-0.221D-03-0.257D-03 0.563D-03
 Coeff-Com:  0.346D-02 0.516D-02-0.164D-01-0.109D+00 0.778D-01 0.104D+01
 Coeff:      0.957D-07 0.194D-04 0.913D-05-0.221D-03-0.257D-03 0.563D-03
 Coeff:      0.346D-02 0.516D-02-0.164D-01-0.109D+00 0.778D-01 0.104D+01
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=1.41D-08 MaxDP=5.52D-07 DE=-4.43D-12 OVMax= 8.73D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  7.44D-09    CP:  1.00D+00  1.16D+00  1.21D+00  1.25D+00  1.14D+00
                    CP:  1.27D+00  1.16D+00  1.31D+00  1.31D+00  1.38D+00
                    CP:  1.28D+00  1.25D+00
 E= -322.875139898266     Delta-E=       -0.000000000006 Rises=F Damp=F
 DIIS: error= 7.67D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -322.875139898266     IErMin=13 ErrMin= 7.67D-09
 ErrMax= 7.67D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.84D-14 BMatP= 2.41D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.611D-06 0.109D-04 0.113D-04-0.659D-04-0.126D-03-0.145D-03
 Coeff-Com:  0.549D-03 0.329D-02 0.342D-02-0.263D-01-0.808D-01 0.115D+00
 Coeff-Com:  0.985D+00
 Coeff:     -0.611D-06 0.109D-04 0.113D-04-0.659D-04-0.126D-03-0.145D-03
 Coeff:      0.549D-03 0.329D-02 0.342D-02-0.263D-01-0.808D-01 0.115D+00
 Coeff:      0.985D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=4.41D-09 MaxDP=2.10D-07 DE=-6.25D-12 OVMax= 3.10D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -322.875139898     A.U. after   13 cycles
            NFock= 13  Conv=0.44D-08     -V/T= 2.0053
 KE= 3.211726550525D+02 PE=-1.257092730606D+03 EE= 3.628518343027D+02
 Leave Link  502 at Mon Aug 16 21:16:38 2021, MaxMem=  5637144576 cpu:             539.3 elap:              67.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   201
 NBasis=   201 NAE=    24 NBE=    24 NFC=     0 NFV=     0
 NROrb=    201 NOA=    24 NOB=    24 NVA=   177 NVB=   177

 **** Warning!!: The largest alpha MO coefficient is  0.45864663D+02

 Leave Link  801 at Mon Aug 16 21:16:38 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4022 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          13
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 7.08D-14 8.33D-09 XBig12= 1.00D+00 2.86D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 7.08D-14 8.33D-09 XBig12= 1.91D-01 6.53D-02.
     11 vectors produced by pass  2 Test12= 7.08D-14 8.33D-09 XBig12= 2.99D-02 4.68D-02.
     11 vectors produced by pass  3 Test12= 7.08D-14 8.33D-09 XBig12= 2.21D-03 1.13D-02.
     11 vectors produced by pass  4 Test12= 7.08D-14 8.33D-09 XBig12= 1.17D-04 2.28D-03.
     11 vectors produced by pass  5 Test12= 7.08D-14 8.33D-09 XBig12= 3.70D-06 2.55D-04.
     11 vectors produced by pass  6 Test12= 7.08D-14 8.33D-09 XBig12= 8.80D-08 3.99D-05.
     11 vectors produced by pass  7 Test12= 7.08D-14 8.33D-09 XBig12= 1.42D-09 5.08D-06.
     11 vectors produced by pass  8 Test12= 7.08D-14 8.33D-09 XBig12= 2.41D-11 7.72D-07.
      7 vectors produced by pass  9 Test12= 7.08D-14 8.33D-09 XBig12= 3.05D-13 6.20D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.07D-14
 Solved reduced A of dimension   106 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.595153D+02
      2 -0.105219D+01  0.613926D+02
      3 -0.437626D+00 -0.576698D+00  0.448184D+02
 Isotropic polarizability for W=    0.093368       55.24 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.421451D+02 -0.366682D+00 -0.100693D+01
      2   0.256929D+02 -0.783003D+01  0.134738D+01
      3   0.164522D+02  0.819671D+01 -0.340450D+00
      4  -0.113054D+02 -0.203343D+02 -0.566569D+01
      5  -0.132651D+01 -0.674107D+01 -0.410689D+02
      6  -0.423792D+01 -0.221122D+01 -0.641411D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.570470D+00  0.216543D+01  0.552463D+01
      2  -0.310777D+01 -0.172945D+01 -0.185694D+02
      3   0.290122D+01  0.104683D+02  0.126459D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.107538D+01 -0.355860D+01  0.146108D+02
      2   0.319577D+00 -0.142777D+01 -0.575211D+02
      3  -0.109387D+02  0.460271D+02  0.250315D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.501274D+00 -0.169293D+00 -0.164745D+01
      2  -0.169293D+00  0.560587D+00  0.588548D+00
      3  -0.164745D+01  0.588548D+00  0.462980D-01
 OR G Eigenvalues:    -1.9240     0.3131     1.7165  Iso=    -0.0352
 Eigenvectors:
   (1)   0.747369  -0.104504   0.656139
   (2)   0.362443   0.891798  -0.270799
   (3)  -0.556844   0.440199   0.704379
 w=    0.093368 a.u., Optical Rotation Beta=     -0.0352 au.
 Molar Mass =     89.0938 grams/mole, [Alpha] ( 4880.0 A) =      -22.27 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   20301 ScalPx= 5.48D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   20301 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.31D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.18D-14 2.78D-09 XBig12= 1.00D+00 4.51D-01.
     30 vectors produced by pass  1 Test12= 1.18D-14 2.78D-09 XBig12= 2.34D-02 4.88D-02.
     30 vectors produced by pass  2 Test12= 1.18D-14 2.78D-09 XBig12= 5.41D-04 3.22D-03.
     30 vectors produced by pass  3 Test12= 1.18D-14 2.78D-09 XBig12= 6.01D-06 3.38D-04.
     30 vectors produced by pass  4 Test12= 1.18D-14 2.78D-09 XBig12= 5.97D-08 3.10D-05.
     30 vectors produced by pass  5 Test12= 1.18D-14 2.78D-09 XBig12= 5.31D-10 2.64D-06.
     30 vectors produced by pass  6 Test12= 1.18D-14 2.78D-09 XBig12= 3.72D-12 1.85D-07.
     30 vectors produced by pass  7 Test12= 1.18D-14 2.78D-09 XBig12= 2.37D-14 1.51D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   20301 ScalPx= 1.71D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   20301 ScalPx= 1.71D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   20301 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.92D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.595153D+02 -0.105219D+01 -0.437626D+00
      2  -0.105219D+01  0.613926D+02 -0.576698D+00
      3  -0.437626D+00 -0.576698D+00  0.448184D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.570470D+00  0.216543D+01  0.552463D+01
      2  -0.310777D+01 -0.172945D+01 -0.185694D+02
      3   0.290122D+01  0.104683D+02  0.126459D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.421451D+02 -0.366682D+00 -0.100693D+01
      2   0.256929D+02 -0.783003D+01  0.134738D+01
      3   0.164522D+02  0.819671D+01 -0.340450D+00
      4  -0.113054D+02 -0.203343D+02 -0.566569D+01
      5  -0.132651D+01 -0.674107D+01 -0.410689D+02
      6  -0.423792D+01 -0.221122D+01 -0.641411D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.503029D+01 -0.447749D+00 -0.218709D+01 -0.138132D+01 -0.309239D+01
      2  -0.447749D+00 -0.401541D+01 -0.115059D+00 -0.309239D+01  0.246109D+01
      3  -0.218709D+01 -0.115059D+00  0.151853D+00 -0.211018D+00 -0.182754D+01
                 6             7             8             9            10 
      1  -0.211018D+00 -0.265581D+01 -0.563068D+00  0.427159D+00 -0.382187D+01
      2  -0.182754D+01 -0.563068D+00 -0.218332D+01 -0.325721D-01  0.951082D+00
      3  -0.156108D+00  0.427159D+00 -0.325721D-01  0.663768D+01  0.537173D+00
                11            12            13            14            15 
      1   0.951082D+00  0.537173D+00  0.113681D+01  0.254459D+01  0.340522D+00
      2   0.362461D+01  0.371161D+00  0.254459D+01 -0.147424D+01  0.974976D+00
      3   0.371161D+00  0.739277D-01  0.340522D+00  0.974976D+00  0.569626D+00
                16            17            18            19            20 
      1   0.492947D+00  0.837265D+00  0.297457D+00  0.233343D+01  0.745069D+00
      2   0.837265D+00  0.176050D+01  0.229912D+00  0.745069D+00 -0.345813D+01
      3   0.297457D+00  0.229912D+00 -0.658236D+01  0.274182D-01  0.225711D+00
                21            22            23            24            25 
      1   0.274182D-01  0.219908D+01 -0.393196D+01  0.142521D+00 -0.613882D+00
      2   0.225711D+00 -0.393196D+01  0.342958D+01 -0.402694D-01  0.428925D+00
      3   0.101388D+00  0.142521D+00 -0.402694D-01  0.363879D+00  0.199807D-01
                26            27            28            29            30 
      1   0.428925D+00  0.199807D-01  0.542668D+01 -0.418007D+01  0.201475D+00
      2  -0.357297D+00  0.263730D+00 -0.418007D+01  0.413731D+01 -0.311085D+00
      3   0.263730D+00  0.541235D+00  0.201475D+00 -0.311085D+00  0.100772D+01
                31            32            33            34            35 
      1  -0.471146D+01  0.380332D+01  0.265680D-01  0.348409D+00 -0.181568D-01
      2   0.380332D+01 -0.102599D+02  0.174159D+00 -0.181568D-01  0.411332D-01
      3   0.265680D-01  0.174159D+00 -0.216911D+01  0.197668D+01 -0.278840D+01
                36            37            38            39            40 
      1   0.197668D+01  0.291440D+01 -0.139886D+01 -0.745801D+00 -0.104732D+01
      2  -0.278840D+01 -0.139886D+01 -0.316977D+00  0.303815D+00 -0.690520D+00
      3   0.161704D+00 -0.745801D+00  0.303815D+00  0.264387D+01  0.388019D+00
                41            42            43            44            45 
      1  -0.690520D+00  0.388019D+00 -0.978872D+00  0.566188D+00  0.275826D+01
      2   0.512549D+01 -0.787847D+00  0.566188D+00 -0.944420D+00 -0.250323D+00
      3  -0.787847D+00 -0.172225D+00  0.275826D+01 -0.250323D+00  0.279503D+01
                46            47            48            49            50 
      1   0.701148D+01  0.172399D+01 -0.670877D+00 -0.177030D+01  0.354140D+01
      2   0.172399D+01  0.350485D+01 -0.332669D+00  0.354140D+01  0.249257D+01
      3  -0.670877D+00 -0.332669D+00  0.928686D+00 -0.838833D-02 -0.337111D+00
                51            52            53            54            55 
      1  -0.838833D-02 -0.758743D+00 -0.463624D+00  0.126863D+01  0.205321D+00
      2  -0.337111D+00 -0.463624D+00 -0.392260D+00  0.175889D+01 -0.173727D+00
      3   0.888131D+00  0.126863D+01  0.175889D+01 -0.113413D+01  0.978843D+00
                56            57            58            59            60 
      1  -0.173727D+00  0.978843D+00 -0.467935D+00 -0.685866D+00  0.226249D-01
      2  -0.681321D+00 -0.407376D-01 -0.685866D+00  0.795835D-01  0.108085D+01
      3  -0.407376D-01 -0.437646D+00  0.226249D-01  0.108085D+01 -0.437915D+00
                61            62            63            64            65 
      1   0.175196D+01 -0.924681D-01 -0.607274D+00 -0.901749D+01 -0.135795D+01
      2  -0.924681D-01  0.147965D+01 -0.350369D-01 -0.135795D+01 -0.142416D+01
      3  -0.607274D+00 -0.350369D-01  0.858493D+01  0.140890D+01  0.108109D+00
                66            67            68            69            70 
      1   0.140890D+01  0.155435D+00 -0.811663D+00  0.123095D+00  0.226260D+01
      2   0.108109D+00 -0.811663D+00 -0.578079D+00  0.476366D+00  0.370241D+00
      3  -0.160110D+01  0.123095D+00  0.476366D+00  0.834249D-01 -0.139256D+01
                71            72            73            74            75 
      1   0.370241D+00 -0.139256D+01 -0.706759D+00 -0.114616D+00 -0.689039D+00
      2   0.966308D+00 -0.215152D+00 -0.114616D+00  0.505754D+00  0.461153D-01
      3  -0.215152D+00  0.371680D+00 -0.689039D+00  0.461153D-01  0.471555D-01
                76            77            78            79            80 
      1   0.324320D+00  0.189631D+00  0.136060D+00 -0.145250D+01 -0.359637D+00
      2   0.189631D+00 -0.394871D+00 -0.767412D+00 -0.359637D+00 -0.178060D+01
      3   0.136060D+00 -0.767412D+00  0.267163D+00 -0.961485D+00 -0.901284D+00
                81            82            83            84            85 
      1  -0.961485D+00  0.819141D+00 -0.643258D+00  0.489947D+00 -0.147281D+01
      2  -0.901284D+00 -0.643258D+00  0.229575D+01 -0.108902D+00  0.889710D+00
      3  -0.821863D+01  0.489947D+00 -0.108902D+00  0.635134D+00 -0.192266D+00
                86            87            88            89            90 
      1   0.889710D+00 -0.192266D+00  0.773877D+00  0.643847D-01  0.170189D+00
      2  -0.787353D+01  0.977515D+00  0.643847D-01  0.157093D+01 -0.113021D+01
      3   0.977515D+00 -0.138741D+01  0.170189D+00 -0.113021D+01  0.121969D+00
                91            92            93            94            95 
      1  -0.158716D+01  0.100965D+01 -0.130027D+01  0.714679D+00 -0.232499D+00
      2   0.100965D+01 -0.722059D+00  0.607058D+00 -0.232499D+00  0.615437D+00
      3  -0.130027D+01  0.607058D+00 -0.184508D+01  0.273859D+00 -0.410098D+00
                96            97            98            99           100 
      1   0.273859D+00 -0.271229D+01  0.671953D+00 -0.237758D+01 -0.445202D+01
      2  -0.410098D+00  0.671953D+00 -0.193046D+01  0.109075D+01  0.255696D+01
      3   0.206473D+00 -0.237758D+01  0.109075D+01 -0.518609D+01  0.158965D+01
               101           102           103           104           105 
      1   0.255696D+01  0.158965D+01  0.271857D+01 -0.148981D+01 -0.870733D+00
      2  -0.231580D+01 -0.993096D+00 -0.148981D+01  0.194157D+01  0.736482D+00
      3  -0.993096D+00 -0.173712D+01 -0.870733D+00  0.736482D+00  0.955610D+00
               106           107           108           109           110 
      1   0.319224D+01 -0.141778D+01 -0.194113D+01 -0.415545D+01  0.132949D+01
      2  -0.141778D+01  0.185422D+01  0.131162D+01  0.132949D+01 -0.113441D+01
      3  -0.194113D+01  0.131162D+01  0.215820D+01  0.359676D+00  0.239579D+00
               111           112           113           114           115 
      1   0.359676D+00  0.360225D+01 -0.339395D-01 -0.170864D+00  0.350049D+00
      2   0.239579D+00 -0.339395D-01  0.443532D+01 -0.250067D+00 -0.242201D-01
      3   0.312234D-01 -0.170864D+00 -0.250067D+00  0.988460D+00  0.361682D+00
               116           117 
      1  -0.242201D-01  0.361682D+00
      2  -0.843780D-01  0.698068D+00
      3   0.698068D+00 -0.251219D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.410297D+01  0.118361D-01 -0.404290D+00 -0.656071D+00 -0.648100D+01
      2   0.602795D+01  0.146989D+01  0.135233D+01  0.159696D+01  0.247278D+01
      3  -0.766763D+01 -0.889330D+01  0.294654D+01 -0.907784D+00  0.118976D+02
                 6             7             8             9            10 
      1  -0.271948D+01  0.107745D+01  0.229503D+01  0.841068D+01  0.100367D+01
      2   0.583492D+00 -0.348452D+01 -0.131817D+00 -0.931212D+01  0.107088D+01
      3  -0.289205D+01  0.324230D+01 -0.291453D+01 -0.836205D+00  0.363878D+01
                11            12            13            14            15 
      1   0.823817D+00 -0.173661D+00  0.157434D+01  0.556024D+00  0.534860D+00
      2   0.139356D+01  0.333953D+01 -0.106193D+01 -0.317844D+01 -0.948530D+00
      3  -0.268574D+01 -0.116554D+01  0.110724D+01 -0.279906D+01  0.131582D+01
                16            17            18            19            20 
      1   0.758286D-01  0.515494D+01 -0.858561D+00  0.136464D+00  0.113229D+01
      2  -0.312078D+01 -0.516247D+00  0.202218D+01 -0.483836D+01 -0.175620D+01
      3   0.527682D+00  0.254396D+01 -0.375569D+00  0.349139D+01  0.254328D+01
                21            22            23            24            25 
      1  -0.122294D+01  0.202039D+01  0.107125D+01  0.816828D+01  0.220024D+01
      2  -0.596527D+01 -0.162020D+01  0.113276D+01  0.259722D+01 -0.170939D+02
      3   0.685489D+00  0.165511D+01 -0.644810D+01 -0.164982D+01 -0.166704D+00
                26            27            28            29            30 
      1   0.988580D+01 -0.214399D+01 -0.372483D+00  0.358179D+00  0.420805D+01
      2  -0.780923D+00  0.334984D+01 -0.139416D+00  0.969872D-01  0.684336D+01
      3  -0.285590D+01 -0.681445D+00 -0.220493D+01 -0.824493D+01  0.205431D+00
                31            32            33            34            35 
      1  -0.235520D+00 -0.724054D+00 -0.866647D+01 -0.557862D+00  0.154599D+01
      2   0.168374D+01 -0.345260D+00 -0.463590D+01  0.273331D+01 -0.210944D+01
      3   0.683132D+01  0.136203D+02  0.242504D+00  0.680215D+00  0.570743D+00
                36            37            38            39            40 
      1   0.326649D+00  0.198444D+01 -0.160939D+01 -0.523863D+01 -0.252546D+01
      2  -0.908370D+00  0.179688D+01 -0.212428D+01  0.723007D+00 -0.126863D+01
      3   0.311949D+01  0.447339D+01 -0.956560D+01 -0.220120D+00  0.221332D+01
                41            42            43            44            45 
      1   0.284258D+01 -0.427924D+01 -0.675896D+01  0.507222D+01 -0.428852D+01
      2   0.163433D+01  0.828042D+00 -0.696319D+01  0.151219D+01 -0.230241D+01
      3   0.260940D+01  0.224191D+00 -0.140502D+01  0.380317D+00  0.526014D+01
                46            47            48            49            50 
      1   0.127908D+01 -0.117683D+01 -0.351819D+01 -0.761022D+00  0.484597D+00
      2   0.176664D+01 -0.399638D+00  0.605174D+01 -0.684141D+00 -0.252689D+00
      3   0.127575D+02 -0.125962D+02 -0.401099D+00 -0.707365D+01  0.156120D+01
                51            52            53            54            55 
      1  -0.522563D+01 -0.232552D+01  0.133840D+01  0.148408D+01  0.688668D-01
      2   0.111063D+01  0.332912D+01  0.223345D+01 -0.223688D+01 -0.135174D+00
      3   0.611883D+00 -0.138444D+01  0.184682D+01 -0.147279D+01 -0.645475D+00
                56            57            58            59            60 
      1  -0.741485D+00 -0.273942D+00 -0.793526D+00  0.253779D+00 -0.557282D+00
      2  -0.200854D+00  0.331388D+00  0.194901D+00  0.177453D+00  0.535266D+00
      3  -0.123474D+01  0.113266D+00  0.769496D+00  0.478749D+00  0.747684D+00
                61            62            63            64            65 
      1  -0.533395D+00  0.300921D+01  0.100962D+01  0.162272D+01 -0.237244D-01
      2  -0.255203D+01  0.312965D+00 -0.493100D+01 -0.359552D+01 -0.144605D+00
      3  -0.354226D+00  0.876729D+00  0.147587D+00  0.982811D+01 -0.351320D+01
                66            67            68            69            70 
      1  -0.224181D+01  0.215835D+00  0.647565D+00 -0.565678D+00 -0.147088D+01
      2   0.555193D+01 -0.306160D+00 -0.725344D+00 -0.312635D+00  0.147164D+01
      3  -0.201807D+01 -0.959182D-02  0.207385D-01  0.697104D+00 -0.224912D+01
                71            72            73            74            75 
      1   0.731863D+00  0.452196D+00 -0.733290D+00 -0.283995D+00 -0.215226D+00
      2   0.116825D+00 -0.125088D+01  0.825846D+00 -0.685189D-01  0.743633D+00
      3   0.185036D+01  0.135780D+01  0.630589D+00  0.144085D+00  0.826627D+00
                76            77            78            79            80 
      1  -0.937992D-01 -0.112263D+01 -0.540392D+00 -0.914039D+00  0.257238D+01
      2  -0.697225D-01  0.107543D+01 -0.190519D+00 -0.195586D+01  0.911835D+00
      3   0.782065D+00 -0.872482D+00 -0.987760D+00  0.164345D+01 -0.244503D+01
                81            82            83            84            85 
      1  -0.109107D+02  0.114842D+01 -0.488604D+00  0.170614D+01 -0.758893D+00
      2   0.124429D+02 -0.732940D+00 -0.114385D+00 -0.207011D+00  0.162637D+00
      3   0.313024D-01 -0.442366D+01  0.417841D+01 -0.135317D+01  0.653556D+01
                86            87            88            89            90 
      1   0.304427D+01 -0.430653D+01  0.493452D+00 -0.698529D+00  0.570050D+00
      2  -0.911445D+00  0.151967D+01 -0.121667D+01  0.107303D+01 -0.283703D-01
      3  -0.138392D+02  0.214626D+01 -0.185533D+01  0.244807D+01 -0.186768D+01
                91            92            93            94            95 
      1   0.226589D+01 -0.399031D+00  0.362180D+01 -0.434692D+00  0.135637D+01
      2   0.607169D+00 -0.657464D+00  0.283814D+01 -0.422729D+00  0.338948D+00
      3  -0.130795D+01 -0.736972D-01 -0.126827D+01  0.164626D+01 -0.589012D-03
                96            97            98            99           100 
      1  -0.788489D+00  0.491514D+01  0.153368D+00  0.915472D+01 -0.292840D+01
      2  -0.463751D+00  0.797312D+00 -0.154490D+01  0.608405D+01 -0.970143D+00
      3   0.176640D+00 -0.431989D+01 -0.205719D+01 -0.312029D+01 -0.502659D+01
               101           102           103           104           105 
      1   0.149901D+01  0.369472D+01  0.182695D+01 -0.944368D+00 -0.179172D+01
      2   0.139210D+01  0.305321D+01  0.980222D+00 -0.691181D+00 -0.153802D+01
      3  -0.145101D+00  0.147527D+01  0.419932D+01  0.487826D+00 -0.929426D+00
               106           107           108           109           110 
      1   0.360926D+01 -0.964526D+00 -0.348333D+01 -0.137241D+01  0.897928D+00
      2   0.113209D+01 -0.151133D+01 -0.294767D+01 -0.190296D+01  0.825052D+00
      3   0.477322D+01  0.573850D+00 -0.195448D+01 -0.130176D+02  0.939007D+01
               111           112           113           114           115 
      1   0.579762D-01  0.840629D+00 -0.696014D+00 -0.167130D+01 -0.336647D+00
      2  -0.224691D+01  0.815051D+00 -0.727329D+00  0.915029D+00 -0.283473D+01
      3   0.462061D+00  0.120095D+02 -0.724254D+01  0.779057D-01  0.867850D+00
               116           117 
      1   0.600541D+00 -0.113506D-01
      2   0.960532D+00  0.237738D+00
      3  -0.818206D+00  0.392144D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.281794D+02 -0.774590D+01  0.965549D+01 -0.285863D+01  0.135655D+02
      2   0.140106D+02  0.113943D+02 -0.549662D+01  0.692068D+01 -0.146717D+02
      3   0.141688D+02 -0.364842D+01 -0.415887D+01 -0.406204D+01  0.110621D+01
      4  -0.919944D+01  0.929528D+01  0.523819D+01  0.121080D+02  0.414236D+01
      5   0.929546D+01  0.137371D+01  0.268718D+00  0.133072D+01  0.614498D+01
      6   0.711279D+01  0.132904D+01  0.210404D+00  0.162241D+01  0.803225D+01
                 6             7             8             9            10 
      1  -0.313318D+01  0.119559D+02 -0.128506D+01  0.450259D+01  0.539237D+01
      2   0.530929D+01 -0.428786D+01  0.520701D+01  0.751609D+01 -0.123888D+01
      3  -0.217611D+01 -0.766806D+01 -0.392195D+01 -0.120187D+02 -0.415349D+01
      4   0.455761D+01  0.711278D+01  0.593015D+01  0.215802D+01 -0.170061D+01
      5   0.112194D+01 -0.393426D+00  0.119183D+01 -0.177866D+02 -0.209385D+01
      6   0.300388D+01 -0.199063D+00  0.102202D+01 -0.121500D+02 -0.273181D+00
                11            12            13            14            15 
      1  -0.446104D+01  0.221813D+00 -0.311088D+00  0.324998D+00 -0.167466D+01
      2   0.449362D+01 -0.738832D-01 -0.536898D+00 -0.672625D+01  0.520336D+00
      3  -0.325780D-01 -0.147930D+00  0.847986D+00  0.640125D+01  0.115432D+01
      4  -0.306786D+01 -0.114348D+01 -0.141184D+02 -0.235003D+00 -0.268679D+01
      5  -0.107746D+01  0.124978D+01 -0.205971D+01 -0.198317D+01 -0.146552D+01
      6  -0.248221D+01  0.698979D+00 -0.226461D+01 -0.207318D+01 -0.461729D+01
                16            17            18            19            20 
      1  -0.602985D+01 -0.230298D+01  0.781772D+01 -0.776126D+01 -0.217436D+01
      2  -0.519747D+00  0.191823D+01  0.937296D+01 -0.909082D-01  0.471716D+01
      3   0.654960D+01  0.384745D+00 -0.171907D+02  0.785217D+01 -0.254279D+01
      4  -0.120063D+01 -0.572873D+01 -0.214076D+01  0.762376D+01 -0.188088D+02
      5  -0.768768D+00 -0.738342D+00  0.107607D+02 -0.154496D+01  0.222667D+01
      6  -0.788043D+00  0.118704D+01  0.197188D+01 -0.261470D+00  0.414255D+00
                21            22            23            24            25 
      1  -0.197447D+01  0.103615D+02 -0.533714D+00 -0.855686D+00  0.134429D+01
      2  -0.136075D+01 -0.492819D+01 -0.805635D+01 -0.193130D+01 -0.206168D+01
      3   0.333521D+01 -0.543329D+01  0.859006D+01  0.278698D+01  0.717388D+00
      4   0.104697D+01 -0.240082D+02  0.126500D+02  0.687611D+00  0.187063D+01
      5  -0.703245D+01  0.289255D+01 -0.439673D+00  0.317888D+01  0.121929D+01
      6   0.776883D+00  0.218921D+00  0.153576D+01 -0.136627D+02 -0.459908D-02
                26            27            28            29            30 
      1   0.543564D+00 -0.610452D+01  0.233245D+02 -0.677798D+01  0.408606D+00
      2   0.739160D+00 -0.519094D+01 -0.929867D+01 -0.213755D+01 -0.281807D+00
      3  -0.128272D+01  0.112955D+02 -0.140258D+02  0.891553D+01 -0.126799D+00
      4   0.421821D+01  0.220324D+01 -0.236188D+02  0.256337D+02 -0.132778D+01
      5   0.842649D+00  0.281298D+01  0.268737D+01 -0.177475D+01  0.108785D+02
      6   0.399950D+01  0.200426D+01 -0.455640D+00  0.379510D+00 -0.602886D+01
                31            32            33            34            35 
      1  -0.103990D+02 -0.601357D+01  0.455617D-01  0.432950D+00  0.230817D+00
      2  -0.741109D+00  0.209021D+02  0.850471D+00  0.356309D+00  0.534502D+00
      3   0.111401D+02 -0.148886D+02 -0.896033D+00 -0.789259D+00 -0.765319D+00
      4   0.278744D+02 -0.359002D+02  0.910967D+00 -0.319861D+00 -0.338394D+00
      5  -0.178522D+01  0.215908D+01 -0.876132D+01  0.119563D+02 -0.939680D+01
      6   0.555173D+00 -0.316383D+00  0.135366D+02 -0.485324D+01  0.104948D+02
                36            37            38            39            40 
      1   0.307561D+00  0.357166D+01  0.921389D+01  0.161175D+01  0.721827D+01
      2  -0.181469D+01 -0.392736D+01 -0.738467D+01  0.198503D+01 -0.452818D+01
      3   0.150712D+01  0.355692D+00 -0.182922D+01 -0.359678D+01 -0.269009D+01
      4  -0.962120D+01  0.117895D+02 -0.415279D+00 -0.294117D+01  0.600797D+01
      5   0.707873D+00  0.317547D+01 -0.274022D+01 -0.561129D+01 -0.207861D+01
      6  -0.665554D+00 -0.385134D+01  0.331841D+01  0.794860D+01  0.319432D+01
                41            42            43            44            45 
      1  -0.115799D+02 -0.159778D+00  0.156062D+01 -0.147510D+01 -0.929813D+01
      2   0.221212D+02 -0.207256D+01  0.292525D+01 -0.239846D+01  0.567474D+01
      3  -0.105413D+02  0.223233D+01 -0.448587D+01  0.387357D+01  0.362339D+01
      4  -0.103560D+02  0.320641D+01 -0.529330D+01  0.399281D+01  0.850346D+01
      5   0.237547D+01  0.109734D+01 -0.641059D+01  0.382158D+01 -0.752996D+01
      6  -0.350117D+01  0.504682D+01  0.104012D+02  0.171750D+01  0.511576D+01
                46            47            48            49            50 
      1   0.217920D+02  0.370498D+01 -0.692178D-01 -0.325753D+01  0.226521D+00
      2  -0.121539D+02  0.270454D+01  0.151905D+01  0.714192D+01  0.743151D+01
      3  -0.963816D+01 -0.640953D+01 -0.144983D+01 -0.388439D+01 -0.765803D+01
      4   0.218926D+02  0.190653D+02 -0.163840D+01  0.143195D+02  0.149125D+02
      5  -0.255199D+01 -0.101567D+01  0.111054D+02  0.197275D+00 -0.134857D+01
      6  -0.133359D+01 -0.762624D+00  0.557652D+01 -0.765379D+00 -0.188717D+01
                51            52            53            54            55 
      1   0.170996D+01  0.334907D+00  0.666047D+00  0.119542D-01  0.661154D+00
      2  -0.271562D+00  0.108857D+01 -0.753730D+00 -0.425812D+01 -0.328781D+01
      3  -0.143840D+01 -0.142347D+01  0.876825D-01  0.424616D+01  0.262666D+01
      4  -0.119759D+01 -0.208179D+01 -0.214972D+01  0.666617D+01  0.559700D+00
      5   0.358413D+01  0.982576D+01  0.609529D+01 -0.439455D+01 -0.193094D+01
      6   0.109960D+02  0.303324D+01  0.774554D+01 -0.311282D+01 -0.597450D+00
                56            57            58            59            60 
      1   0.316921D+00 -0.171618D+01 -0.243351D+00 -0.344606D+01  0.627744D+00
      2   0.626356D-01  0.117499D+01 -0.896783D-01  0.947603D-01  0.188404D+00
      3  -0.379556D+00  0.541190D+00  0.333029D+00  0.335130D+01 -0.816148D+00
      4   0.224033D+01 -0.243016D+00  0.350477D+01  0.333599D+00 -0.133028D+01
      5  -0.266292D+00  0.639138D+01 -0.135015D+00 -0.150679D+01  0.760685D+00
      6   0.685751D+00 -0.150624D+00  0.104243D+00 -0.742656D+00  0.664053D+01
                61            62            63            64            65 
      1   0.182654D+00  0.983603D-01 -0.168821D+02  0.485217D+02  0.427669D+01
      2   0.226566D+01  0.150504D+00 -0.167917D+02 -0.236808D+02  0.700273D+00
      3  -0.244832D+01 -0.248864D+00  0.336738D+02 -0.248409D+02 -0.497696D+01
      4  -0.860964D+00 -0.201885D+01  0.547420D+00  0.222248D+02  0.113869D+02
      5   0.587935D+01  0.468228D-01 -0.131537D+02 -0.638096D+01 -0.836551D+00
      6   0.405583D+00  0.463315D+01 -0.193411D+01 -0.423469D+01 -0.658616D+00
                66            67            68            69            70 
      1  -0.746843D+01 -0.197778D+01  0.308101D+01  0.560934D+00 -0.103467D+02
      2   0.384056D+01  0.295456D+01  0.796157D+00 -0.114067D+01  0.569374D+01
      3   0.362787D+01 -0.976779D+00 -0.387717D+01  0.579734D+00  0.465299D+01
      4  -0.348029D+01  0.711690D+01  0.282378D+01 -0.209727D+01 -0.528487D+01
      5   0.926378D+01 -0.274581D+00 -0.190507D+01 -0.406159D+00  0.890990D+01
      6   0.441630D+01 -0.630391D+00 -0.106149D+01  0.107203D+01  0.352073D+01
                71            72            73            74            75 
      1  -0.109395D+00  0.488859D+01  0.377817D+01  0.138854D+01  0.231394D+01
      2  -0.154851D+01 -0.505934D+01 -0.381972D+01 -0.160235D+01 -0.122262D+01
      3   0.165790D+01  0.170756D+00  0.415505D-01  0.213816D+00 -0.109132D+01
      4  -0.422256D+01  0.287035D+01  0.193561D+01  0.286739D+00  0.148831D+01
      5   0.113426D+01 -0.390013D+01  0.175375D+01  0.354035D+00  0.497175D+01
      6   0.180319D+01 -0.105447D+01  0.113215D+01 -0.337358D+00  0.538715D+00
                76            77            78            79            80 
      1  -0.326471D+00 -0.375326D+01 -0.131228D+01  0.351751D+01 -0.267312D+01
      2   0.138425D+00  0.213284D+01  0.256158D+01 -0.315024D+01  0.279770D+01
      3   0.188047D+00  0.162041D+01 -0.124930D+01 -0.367266D+00 -0.124581D+00
      4   0.456085D+00  0.205442D+00  0.243401D+01  0.383408D+01  0.545707D+01
      5  -0.789130D+00  0.194279D+01 -0.519637D+00  0.778079D+01  0.238641D+01
      6   0.395448D+00  0.111878D+01  0.498526D+01  0.207732D+01  0.715682D+01
                81            82            83            84            85 
      1  -0.117031D+02 -0.112042D+01  0.720230D+01 -0.185161D+01  0.669631D+01
      2  -0.131150D+02  0.325524D+01 -0.101377D+02  0.181251D+01 -0.637564D+01
      3   0.248181D+02 -0.213481D+01  0.293540D+01  0.391007D-01 -0.320667D+00
      4   0.161613D+01 -0.172383D+01  0.159360D-01 -0.124283D+01  0.477352D+01
      5   0.234610D+02 -0.133424D+01  0.375980D+00 -0.540062D+00  0.916900D+00
      6   0.183665D+02 -0.152491D+01  0.717526D+00 -0.262942D+01  0.331042D+00
                86            87            88            89            90 
      1  -0.222876D+02  0.302222D+01 -0.257074D+01  0.383021D+01 -0.466184D+01
      2   0.374601D+02 -0.495286D+01  0.138923D+01 -0.585631D+01  0.312961D+01
      3  -0.151725D+02  0.193064D+01  0.118151D+01  0.202610D+01  0.153223D+01
      4   0.137727D+02 -0.179258D+01 -0.224676D+01 -0.317169D+01  0.113103D+01
      5  -0.331437D+01  0.353525D+01  0.907817D+00  0.211352D+01  0.304590D+00
      6  -0.362469D+01  0.702679D+01 -0.112231D+01  0.694460D+01 -0.242604D+01
                91            92            93            94            95 
      1   0.524302D+01 -0.204704D+01  0.298447D+01 -0.226996D+01 -0.145314D+01
      2  -0.312434D+01  0.213632D+00 -0.254668D+01  0.874532D+00  0.176517D+01
      3  -0.211868D+01  0.183340D+01 -0.437784D+00  0.139543D+01 -0.312021D+00
      4  -0.632873D+01  0.516474D+01 -0.396870D+01  0.357879D+01 -0.176072D+01
      5   0.615384D+01 -0.231059D+01  0.864063D+01 -0.929939D+00  0.186650D+01
      6  -0.345230D+01  0.213270D+01 -0.573815D+01  0.181565D+01 -0.932854D+00
                96            97            98            99           100 
      1  -0.142551D+00  0.652247D+01  0.866322D+00  0.119011D+01  0.134096D+02
      2  -0.751952D+00 -0.621823D+01 -0.136570D+01 -0.810984D+01 -0.374258D+01
      3   0.894503D+00 -0.304236D+00  0.499375D+00  0.691973D+01 -0.966706D+01
      4   0.246750D+01 -0.703649D+01  0.614172D+01 -0.684190D+01 -0.175329D+02
      5  -0.966857D+00  0.100747D+02 -0.408970D+01  0.169043D+02 -0.887387D+01
      6   0.330856D+01 -0.688833D+01  0.469402D+01 -0.139718D+02  0.688149D+01
               101           102           103           104           105 
      1  -0.509160D+01 -0.430288D+01 -0.590815D+01  0.420861D+00  0.131606D+01
      2  -0.153718D+01  0.892818D+00  0.693071D-01  0.445187D+01  0.117788D+01
      3   0.662878D+01  0.341006D+01  0.583884D+01 -0.487273D+01 -0.249394D+01
      4   0.142388D+02  0.700610D+01  0.120877D+02 -0.870398D+01 -0.499647D+01
      5   0.528454D+01  0.861597D+01  0.354790D+01 -0.400311D+01 -0.302623D+01
      6  -0.507599D+01 -0.624163D+01 -0.470696D+01  0.406375D+01  0.463096D+01
               106           107           108           109           110 
      1  -0.714935D+01  0.131627D+01  0.243436D+01 -0.927929D+01  0.791687D+00
      2   0.316173D+01  0.132016D+01 -0.251959D+01  0.742216D+01 -0.785269D+00
      3   0.398762D+01 -0.263643D+01  0.852287D-01  0.185713D+01 -0.641803D-02
      4   0.107564D+02 -0.836022D+01 -0.807517D+01 -0.697379D+01 -0.364316D+01
      5   0.957042D+01 -0.567127D+01 -0.878653D+01  0.120728D+01 -0.170094D+00
      6  -0.748540D+01  0.668518D+01  0.778567D+01  0.858143D+00  0.339597D+00
               111           112           113           114           115 
      1  -0.396795D+00  0.397738D+01 -0.948005D+01  0.380128D+00  0.537099D+00
      2   0.491532D-01 -0.230264D+01  0.141553D+02 -0.256000D+00 -0.350965D+00
      3   0.347641D+00 -0.167474D+01 -0.467525D+01 -0.124128D+00 -0.186135D+00
      4   0.629410D+00  0.581414D+01  0.706341D+01 -0.600766D+00  0.750741D+00
      5  -0.338369D+01 -0.833145D+00  0.119401D-01  0.186749D+01  0.963896D+00
      6   0.622301D+00 -0.307497D+00 -0.118763D+01  0.285096D+01  0.850721D+00
               116           117 
      1   0.678530D+00 -0.238218D+01
      2  -0.360099D+00  0.128691D+01
      3  -0.318431D+00  0.109527D+01
      4   0.250225D+00  0.983236D+00
      5   0.121156D+01  0.162384D+00
      6   0.330925D+01 -0.505942D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Aug 16 21:26:13 2021, MaxMem=  5637144576 cpu:            4585.4 elap:             574.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.98763 -18.93397 -14.20627 -10.20218 -10.13876
 Alpha  occ. eigenvalues --  -10.08244  -1.22212  -1.13691  -1.05465  -0.89845
 Alpha  occ. eigenvalues --   -0.79585  -0.72018  -0.67909  -0.63263  -0.60094
 Alpha  occ. eigenvalues --   -0.57958  -0.55550  -0.53861  -0.52181  -0.48632
 Alpha  occ. eigenvalues --   -0.47556  -0.42821  -0.41985  -0.37213
 Alpha virt. eigenvalues --    0.01838   0.03817   0.04194   0.05030   0.06819
 Alpha virt. eigenvalues --    0.06870   0.07398   0.09232   0.10570   0.10904
 Alpha virt. eigenvalues --    0.12043   0.13458   0.14108   0.14924   0.15031
 Alpha virt. eigenvalues --    0.15625   0.15822   0.16371   0.17526   0.19164
 Alpha virt. eigenvalues --    0.19770   0.19973   0.20637   0.22011   0.25700
 Alpha virt. eigenvalues --    0.25940   0.26550   0.26997   0.27876   0.28501
 Alpha virt. eigenvalues --    0.29118   0.30181   0.31022   0.32554   0.32971
 Alpha virt. eigenvalues --    0.33609   0.35671   0.37459   0.38544   0.39414
 Alpha virt. eigenvalues --    0.39804   0.40250   0.41366   0.42142   0.43084
 Alpha virt. eigenvalues --    0.43210   0.44397   0.46278   0.47604   0.48576
 Alpha virt. eigenvalues --    0.49420   0.50607   0.51683   0.52217   0.53794
 Alpha virt. eigenvalues --    0.54343   0.55445   0.56529   0.58277   0.58871
 Alpha virt. eigenvalues --    0.60798   0.61812   0.64205   0.64846   0.65297
 Alpha virt. eigenvalues --    0.65888   0.66797   0.68225   0.68326   0.70464
 Alpha virt. eigenvalues --    0.72393   0.73796   0.74866   0.77211   0.78079
 Alpha virt. eigenvalues --    0.78969   0.80218   0.81633   0.84467   0.86076
 Alpha virt. eigenvalues --    0.87957   0.88173   0.90640   0.93631   0.94033
 Alpha virt. eigenvalues --    0.96684   0.98438   1.01461   1.03150   1.05429
 Alpha virt. eigenvalues --    1.05608   1.07441   1.08804   1.12453   1.14995
 Alpha virt. eigenvalues --    1.16376   1.18232   1.19712   1.21483   1.23830
 Alpha virt. eigenvalues --    1.24722   1.29178   1.30482   1.34384   1.35953
 Alpha virt. eigenvalues --    1.38175   1.41102   1.43200   1.47834   1.51507
 Alpha virt. eigenvalues --    1.53687   1.55362   1.59776   1.62575   1.63931
 Alpha virt. eigenvalues --    1.65343   1.69900   1.70774   1.74450   1.74746
 Alpha virt. eigenvalues --    1.77346   1.79600   1.83002   1.86596   1.87111
 Alpha virt. eigenvalues --    1.90977   1.91699   1.95050   1.95541   2.00371
 Alpha virt. eigenvalues --    2.02690   2.04090   2.06856   2.09663   2.12032
 Alpha virt. eigenvalues --    2.13485   2.16959   2.19796   2.20480   2.23567
 Alpha virt. eigenvalues --    2.25397   2.27621   2.30415   2.32356   2.36749
 Alpha virt. eigenvalues --    2.39265   2.42268   2.44650   2.51827   2.54987
 Alpha virt. eigenvalues --    2.55335   2.61228   2.63157   2.64925   2.69554
 Alpha virt. eigenvalues --    2.71635   2.74771   2.83169   2.86429   2.87452
 Alpha virt. eigenvalues --    2.93224   2.96970   3.09852   3.11881   3.20292
 Alpha virt. eigenvalues --    3.34735   3.41623   3.44953   3.46724   3.49119
 Alpha virt. eigenvalues --    3.52629   3.53914   3.56385   3.65593   3.78829
 Alpha virt. eigenvalues --    3.88116   4.04669
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.302344   0.552692  -0.234356   0.010245  -0.123705  -0.008383
     2  C    0.552692   5.820440  -0.661565  -0.000809   0.167897   0.216731
     3  C   -0.234356  -0.661565   6.356605   0.273774   0.029993  -0.191798
     4  O    0.010245  -0.000809   0.273774   8.247076  -0.014352  -0.080781
     5  N   -0.123705   0.167897   0.029993  -0.014352   6.536022  -0.085100
     6  O   -0.008383   0.216731  -0.191798  -0.080781  -0.085100   8.281382
     7  H   -0.065468   0.120924  -0.104001   0.008266  -0.082543   0.011758
     8  H    0.267102   0.168497  -0.059842   0.011792   0.002983   0.005458
     9  H    0.369519  -0.114491   0.003814   0.010543  -0.080216  -0.003619
    10  H    0.197248   0.056130  -0.057631  -0.012399   0.004179   0.001522
    11  H   -0.081175  -0.116870   0.048872   0.000290   0.415235  -0.006338
    12  H    0.012448   0.033427  -0.029458   0.001294   0.327702   0.004021
    13  H    0.001928  -0.146046  -0.014949   0.014042   0.078825   0.240013
               7          8          9         10         11         12
     1  C   -0.065468   0.267102   0.369519   0.197248  -0.081175   0.012448
     2  C    0.120924   0.168497  -0.114491   0.056130  -0.116870   0.033427
     3  C   -0.104001  -0.059842   0.003814  -0.057631   0.048872  -0.029458
     4  O    0.008266   0.011792   0.010543  -0.012399   0.000290   0.001294
     5  N   -0.082543   0.002983  -0.080216   0.004179   0.415235   0.327702
     6  O    0.011758   0.005458  -0.003619   0.001522  -0.006338   0.004021
     7  H    1.376282  -0.105773   0.083952  -0.035684   0.025832  -0.085500
     8  H   -0.105773   1.416521  -0.287887  -0.254725  -0.020487   0.008369
     9  H    0.083952  -0.287887   1.333211  -0.198610   0.009562  -0.004576
    10  H   -0.035684  -0.254725  -0.198610   1.467520   0.003567  -0.002972
    11  H    0.025832  -0.020487   0.009562   0.003567   0.815541  -0.135732
    12  H   -0.085500   0.008369  -0.004576  -0.002972  -0.135732   0.839653
    13  H    0.000152  -0.002013  -0.000013   0.000703  -0.001957  -0.004005
              13
     1  C    0.001928
     2  C   -0.146046
     3  C   -0.014949
     4  O    0.014042
     5  N    0.078825
     6  O    0.240013
     7  H    0.000152
     8  H   -0.002013
     9  H   -0.000013
    10  H    0.000703
    11  H   -0.001957
    12  H   -0.004005
    13  H    0.636451
 Mulliken charges:
               1
     1  C    0.799560
     2  C   -0.096958
     3  C    0.640539
     4  O   -0.468983
     5  N   -0.176919
     6  O   -0.384866
     7  H   -0.148196
     8  H   -0.149996
     9  H   -0.121191
    10  H   -0.168848
    11  H    0.043661
    12  H    0.035328
    13  H    0.196869
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.359525
     2  C   -0.245154
     3  C    0.640539
     4  O   -0.468983
     5  N   -0.097929
     6  O   -0.187998
 Electronic spatial extent (au):  <R**2>=            579.7149
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.1229    Y=              2.0284    Z=              0.3408  Tot=              5.5203
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -39.8298   YY=            -37.9678   ZZ=            -34.0580
   XY=              0.3891   XZ=              0.1764   YZ=              0.2317
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -2.5446   YY=             -0.6826   ZZ=              3.2272
   XY=              0.3891   XZ=              0.1764   YZ=              0.2317
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -14.1039  YYY=              8.8061  ZZZ=              0.0729  XYY=             -6.8095
  XXY=              8.6587  XXZ=              1.8082  XZZ=             -1.6040  YZZ=              2.8012
  YYZ=             -0.2439  XYZ=              0.2306
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -395.7607 YYYY=           -279.0140 ZZZZ=            -58.9946 XXXY=            -13.5193
 XXXZ=             -3.0424 YYYX=              0.2242 YYYZ=             -1.5502 ZZZX=              0.4655
 ZZZY=             -0.9022 XXYY=           -111.6230 XXZZ=            -71.0940 YYZZ=            -55.9987
 XXYZ=              1.7473 YYXZ=             -2.4598 ZZXY=             -5.7962
 N-N= 2.501931013526D+02 E-N=-1.257092729245D+03  KE= 3.211726550525D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Aug 16 21:26:13 2021, MaxMem=  5637144576 cpu:               1.9 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.96943793D+00 8.18549406D-01 1.30345559D-01
 Polarizability= 5.46563633D+01-1.15538800D+00 5.65123544D+01
                -5.26764103D-01-6.03702994D-01 4.12617202D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.2192    0.2188       -0.5259   -0.5261
 2     -0.2192   -0.2188        0.2884    0.2883        0.9385    0.9386
 3      0.5259    0.5261        7.3491    7.3485       -0.2884   -0.2883
 4     -0.2884   -0.2883        0.0000    0.0000        0.5262    0.5261
 5     -8.2876   -8.2871       -0.5262   -0.5261        0.2191    0.2188
 6      0.2884    0.2883       -0.2191   -0.2188        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.6564   -0.6564       -1.5783   -1.5783
 2     -0.8650   -0.8650        0.0000    0.0000       -1.5783   -1.5783
 3     -0.8650   -0.8650       -0.6564   -0.6564       -0.0000    0.0000
 4     -0.6564   -0.6564        0.8650    0.8650        2.8158    2.8158
 5      1.5783    1.5783       22.0454   22.0454       -0.8650   -0.8650
 6    -24.8612  -24.8612       -1.5783   -1.5783        0.6564    0.6564
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0063    0.0000       -0.8754   -0.8753        2.1387    2.1044
 2      0.8627    0.8753       -1.1568   -1.1534       -3.7711   -3.7544
 3     -2.1022   -2.1044      -29.3896  -29.3939        1.1692    1.1534
 4      1.1475    1.1534        0.0050    0.0000       -2.1017   -2.1044
 5     33.1550   33.1483        2.1011    2.1044       -0.8673   -0.8753
 6     -1.1565   -1.1534        0.8721    0.8753       -0.0006    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0092    0.0000        8.4222    8.4258        0.9523    0.9423
 2     -8.4262   -8.4258       -8.1119   -8.1012        4.6142    4.5998
 3     -0.9402   -0.9423        1.3972    1.3882        8.0348    8.1012
 4      8.1240    8.1012       -0.0007    0.0000       -0.9421   -0.9423
 5     -6.0179   -5.9881        0.9480    0.9423        8.4162    8.4258
 6     -8.1087   -8.1012       -8.4171   -8.4258       -0.0088    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      9.2383    9.2406        4.8958    4.8913        0.8710    0.8847
 2     20.7436   20.7346        8.5551    8.5634        0.8844    0.8847
 3     20.7451   20.7346        4.8915    4.8913       -2.3661   -2.3543
 4     -3.6756   -3.6721      -11.4872  -11.4939        0.6991    0.7048
 5     -3.2403   -3.2390        7.1635    7.1571       11.4516   11.4939
 6     -7.8767   -7.8618        3.2495    3.2390        3.6902    3.6721
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.9766   -0.0008    0.0003    0.0007    2.6910    4.5146
 Low frequencies ---   57.7836  231.1366  274.9887
 Diagonal vibrational polarizability:
       20.2455547      13.5041867       8.5723095
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     57.7832               231.1366               274.9887
 Red. masses --      3.6767                 1.1212                 1.4513
 Frc consts  --      0.0072                 0.0353                 0.0647
 IR Inten    --      1.0398                 0.4118                18.0214
 RamAct Fr= 1--      0.4253                 0.1514                 0.3177
  Dep-P Fr= 1--      0.7404                 0.7161                 0.7499
  Dep-U Fr= 1--      0.8508                 0.8346                 0.8571
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0603                 0.0211                 0.0454
 AlphaG Fr= 1--     -0.0006                -0.0011                 0.0001
 Gamma2 Fr= 1--      0.2305                 0.0822                 0.0772
 Delta2 Fr= 1--      0.1741                 0.0296                -0.0575
 Raman1 Fr= 1--       1.701                  0.606                  1.271
 ROA1   Fr= 1--      27.700                  8.843                  5.569
 CID1   Fr= 1--      16.281                 14.598                  4.383
 Raman2 Fr= 1--       0.724                  0.253                  0.545
 ROA2   Fr= 1--       4.139                  1.736                  2.312
 CID2   Fr= 1--       5.719                  6.869                  4.245
 Raman3 Fr= 1--       1.448                  0.506                  1.089
 ROA3   Fr= 1--      27.700                  8.843                  5.569
 CID3   Fr= 1--      19.136                 17.491                  5.113
 RC180  Fr= 1--       0.702                  0.669                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06   0.20     0.05  -0.00  -0.01     0.10  -0.02  -0.02
     2   6     0.00   0.03  -0.02    -0.00   0.00   0.04    -0.01   0.03   0.03
     3   6    -0.01   0.01  -0.03    -0.01   0.01   0.02    -0.03   0.02   0.02
     4   8    -0.05  -0.01  -0.23    -0.02  -0.00  -0.02    -0.09  -0.01   0.01
     5   7     0.00  -0.01  -0.17     0.00   0.00   0.04    -0.02   0.03   0.06
     6   8     0.06   0.04   0.24    -0.01  -0.00  -0.04     0.03  -0.02  -0.07
     7   1     0.04   0.21   0.00    -0.03  -0.01   0.03    -0.03   0.03   0.03
     8   1    -0.01   0.01   0.21    -0.09   0.29  -0.47     0.13  -0.26   0.10
     9   1    -0.04  -0.26   0.19     0.55  -0.29  -0.02    -0.03   0.13  -0.01
    10   1    -0.03  -0.02   0.35    -0.27  -0.02   0.42     0.31   0.03  -0.19
    11   1     0.30  -0.06  -0.30     0.13   0.03  -0.02     0.50   0.13  -0.18
    12   1    -0.25  -0.09  -0.39    -0.11  -0.07  -0.04    -0.48  -0.27  -0.27
    13   1     0.08   0.06   0.26     0.01   0.01   0.04     0.13   0.06   0.13
                      4                      5                      6
                      A                      A                      A
 Frequencies --    279.6225               354.5659               410.0805
 Red. masses --      1.9824                 3.4332                 2.6035
 Frc consts  --      0.0913                 0.2543                 0.2580
 IR Inten    --     11.5845                11.4006                 4.4021
 RamAct Fr= 1--      0.4081                 1.0682                 0.3923
  Dep-P Fr= 1--      0.5287                 0.1827                 0.5499
  Dep-U Fr= 1--      0.6917                 0.3089                 0.7096
 Alpha2 Fr= 1--      0.0018                 0.0152                 0.0015
 Beta2  Fr= 1--      0.0470                 0.0550                 0.0464
 AlphaG Fr= 1--      0.0056                 0.0132                 0.0022
 Gamma2 Fr= 1--     -0.0018                -0.2646                 0.1342
 Delta2 Fr= 1--     -0.0268                -0.1204                -0.0226
 Raman1 Fr= 1--       1.632                  4.273                  1.569
 ROA1   Fr= 1--      -1.033                -29.254                 12.154
 CID1   Fr= 1--      -0.633                 -6.847                  7.745
 Raman2 Fr= 1--       0.564                  0.660                  0.557
 ROA2   Fr= 1--       0.170                 -5.387                  3.401
 CID2   Fr= 1--       0.302                 -8.163                  6.108
 Raman3 Fr= 1--       1.129                  1.320                  1.114
 ROA3   Fr= 1--      -1.033                -29.254                 12.154
 CID3   Fr= 1--      -0.915                -22.164                 10.914
 RC180  Fr= 1--       0.383                 -0.382                  0.419
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.17  -0.04  -0.00    -0.10  -0.01   0.01     0.01   0.19  -0.02
     2   6    -0.01   0.07   0.02     0.02   0.01  -0.14     0.04   0.01   0.19
     3   6    -0.03   0.03   0.01     0.04   0.04  -0.10     0.04  -0.01   0.10
     4   8    -0.14  -0.04  -0.04     0.01   0.03   0.08     0.03  -0.01  -0.07
     5   7    -0.08   0.03  -0.03    -0.23  -0.03   0.09    -0.13  -0.14  -0.09
     6   8     0.07  -0.03   0.03     0.26  -0.01   0.00     0.04  -0.03  -0.02
     7   1    -0.02   0.07   0.02     0.17  -0.06  -0.14    -0.03   0.06   0.19
     8   1     0.15  -0.22  -0.06    -0.09   0.22   0.05    -0.02   0.26  -0.09
     9   1     0.24  -0.05  -0.00    -0.15  -0.19   0.00     0.08   0.52   0.00
    10   1     0.34   0.05   0.03    -0.26  -0.04   0.16    -0.16   0.03  -0.29
    11   1    -0.57  -0.11   0.19    -0.20   0.06   0.07    -0.14  -0.49  -0.08
    12   1     0.33   0.27   0.27    -0.37  -0.38   0.13    -0.20  -0.10  -0.19
    13   1     0.10   0.00  -0.15     0.43   0.14  -0.02     0.06  -0.01  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    530.6052               568.8183               739.1148
 Red. masses --      5.7938                 3.8666                 5.1151
 Frc consts  --      0.9611                 0.7371                 1.6464
 IR Inten    --      1.3248                 4.3907                 8.5197
 RamAct Fr= 1--      3.2230                 2.9436                 3.1893
  Dep-P Fr= 1--      0.3828                 0.3365                 0.0650
  Dep-U Fr= 1--      0.5537                 0.5035                 0.1221
 Alpha2 Fr= 1--      0.0254                 0.0270                 0.0608
 Beta2  Fr= 1--      0.2974                 0.2470                 0.0649
 AlphaG Fr= 1--     -0.0250                 0.0100                 0.0298
 Gamma2 Fr= 1--      0.0798                -0.1644                -0.4067
 Delta2 Fr= 1--      0.0810                -0.0187                -0.0071
 Raman1 Fr= 1--      12.892                 11.774                 12.757
 ROA1   Fr= 1--      10.251                -16.378                -39.275
 CID1   Fr= 1--       0.795                 -1.391                 -3.079
 Raman2 Fr= 1--       3.569                  2.964                  0.779
 ROA2   Fr= 1--       1.267                 -3.795                 -9.705
 CID2   Fr= 1--       0.355                 -1.280                -12.465
 Raman3 Fr= 1--       7.138                  5.929                  1.557
 ROA3   Fr= 1--      10.251                -16.378                -39.275
 CID3   Fr= 1--       1.436                 -2.763                -25.223
 RC180  Fr= 1--       0.107                  0.007                 -0.756
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02   0.02    -0.14  -0.17  -0.05    -0.05  -0.07  -0.05
     2   6    -0.18   0.14  -0.00    -0.19  -0.06   0.13     0.06   0.01  -0.08
     3   6     0.02  -0.17   0.06    -0.05   0.10   0.17     0.28   0.03   0.36
     4   8     0.34  -0.02  -0.08     0.03   0.16  -0.09    -0.05  -0.21  -0.08
     5   7    -0.20   0.24   0.00     0.09  -0.02  -0.01    -0.08   0.08  -0.01
     6   8    -0.05  -0.21   0.02     0.19  -0.04  -0.08    -0.01   0.18  -0.11
     7   1    -0.28   0.23  -0.01    -0.42  -0.10   0.12    -0.40  -0.06  -0.11
     8   1    -0.01  -0.29  -0.09    -0.17  -0.28  -0.12     0.04   0.12   0.24
     9   1     0.14  -0.10   0.01    -0.07  -0.10  -0.05    -0.34  -0.30  -0.06
    10   1     0.31   0.18   0.14    -0.07  -0.15  -0.09    -0.14  -0.08   0.08
    11   1    -0.12   0.34  -0.04     0.10   0.00  -0.01    -0.11   0.21   0.00
    12   1    -0.27   0.13  -0.00     0.25   0.37  -0.05    -0.07  -0.08   0.09
    13   1     0.03  -0.13   0.09     0.39   0.15  -0.11    -0.27  -0.07   0.12
                     10                     11                     12
                      A                      A                      A
 Frequencies --    804.7202               846.5321               880.2916
 Red. masses --      3.3143                 1.5049                 1.2290
 Frc consts  --      1.2645                 0.6354                 0.5611
 IR Inten    --      6.5787               111.7083                72.3814
 RamAct Fr= 1--      8.5578                 0.9679                 1.8690
  Dep-P Fr= 1--      0.0572                 0.3569                 0.4170
  Dep-U Fr= 1--      0.1083                 0.5260                 0.5886
 Alpha2 Fr= 1--      0.1661                 0.0083                 0.0130
 Beta2  Fr= 1--      0.1545                 0.0849                 0.1833
 AlphaG Fr= 1--     -0.0652                -0.0403                 0.0552
 Gamma2 Fr= 1--     -0.0789                -0.3615                 0.1761
 Delta2 Fr= 1--      0.0975                -0.1570                 0.0672
 Raman1 Fr= 1--      34.231                  3.872                  7.476
 ROA1   Fr= 1--      -4.450                -39.727                 19.056
 CID1   Fr= 1--      -0.130                -10.261                  2.549
 Raman2 Fr= 1--       1.853                  1.018                  2.200
 ROA2   Fr= 1--      -2.673                 -7.419                  3.689
 CID2   Fr= 1--      -1.442                 -7.286                  1.677
 Raman3 Fr= 1--       3.707                  2.037                  4.400
 ROA3   Fr= 1--      -4.450                -39.727                 19.056
 CID3   Fr= 1--      -1.201                -19.507                  4.331
 RC180  Fr= 1--      -0.783                  0.052                  0.177
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.08  -0.00     0.03   0.07   0.02    -0.02  -0.05  -0.00
     2   6     0.11  -0.01  -0.16    -0.06   0.03  -0.04     0.04  -0.02   0.04
     3   6    -0.13   0.05   0.21     0.01  -0.00  -0.01    -0.01  -0.00  -0.02
     4   8    -0.01   0.15  -0.06     0.01  -0.01   0.01    -0.00   0.01   0.02
     5   7     0.05  -0.05  -0.01    -0.05  -0.15   0.00     0.02   0.08  -0.05
     6   8    -0.07  -0.18  -0.01     0.00   0.01  -0.04    -0.01  -0.01  -0.04
     7   1    -0.14  -0.14  -0.18    -0.10   0.03  -0.04     0.06   0.04   0.04
     8   1     0.21   0.37   0.36     0.04   0.06   0.05    -0.03  -0.01  -0.06
     9   1    -0.26  -0.20  -0.02     0.01   0.01   0.02     0.02   0.07   0.00
    10   1    -0.03   0.08   0.18     0.08   0.11   0.08    -0.10  -0.12  -0.11
    11   1    -0.17  -0.02   0.09     0.26   0.39  -0.11    -0.30  -0.21   0.09
    12   1     0.02  -0.40   0.16     0.34   0.41   0.08    -0.03  -0.14   0.04
    13   1     0.21   0.08   0.06     0.06   0.04   0.62     0.18   0.14   0.84
                     13                     14                     15
                      A                      A                      A
 Frequencies --    939.2088              1020.8481              1081.8120
 Red. masses --      1.4698                 1.3096                 2.3447
 Frc consts  --      0.7639                 0.8041                 1.6168
 IR Inten    --     36.1213                 0.6787                44.5061
 RamAct Fr= 1--      2.1607                 1.1831                 2.2167
  Dep-P Fr= 1--      0.3411                 0.3086                 0.7230
  Dep-U Fr= 1--      0.5086                 0.4716                 0.8392
 Alpha2 Fr= 1--      0.0195                 0.0118                 0.0010
 Beta2  Fr= 1--      0.1832                 0.0930                 0.3100
 AlphaG Fr= 1--      0.0252                -0.0087                -0.0045
 Gamma2 Fr= 1--      0.5285                -0.3478                 0.3264
 Delta2 Fr= 1--      0.3828                -0.3163                 0.0903
 Raman1 Fr= 1--       8.643                  4.732                  8.867
 ROA1   Fr= 1--      62.985                -43.507                 34.221
 CID1   Fr= 1--       7.288                 -9.194                  3.860
 Raman2 Fr= 1--       2.198                  1.116                  3.720
 ROA2   Fr= 1--       9.621                 -5.816                  7.111
 CID2   Fr= 1--       4.377                 -5.212                  1.911
 Raman3 Fr= 1--       4.396                  2.232                  7.441
 ROA3   Fr= 1--      62.985                -43.507                 34.221
 CID3   Fr= 1--      14.328                -19.494                  4.599
 RC180  Fr= 1--       0.017                 -0.057                  0.678
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.12   0.01    -0.06  -0.01   0.07    -0.13  -0.05  -0.10
     2   6     0.10  -0.01   0.02    -0.01   0.04  -0.08     0.15   0.20   0.02
     3   6    -0.01   0.02   0.01     0.00   0.00   0.07     0.06   0.06   0.03
     4   8    -0.01   0.03  -0.01    -0.00  -0.00  -0.01    -0.02   0.03  -0.01
     5   7    -0.08   0.04  -0.01     0.04  -0.06  -0.01    -0.03  -0.06   0.04
     6   8    -0.02  -0.05   0.02    -0.00   0.01  -0.01    -0.05  -0.09   0.01
     7   1     0.19   0.17   0.03     0.14   0.44  -0.04     0.50   0.12   0.04
     8   1     0.04   0.30  -0.02    -0.19  -0.26  -0.32    -0.14  -0.37  -0.11
     9   1    -0.04   0.26   0.03     0.31   0.32   0.09    -0.06  -0.36  -0.12
    10   1    -0.38  -0.39  -0.30     0.08  -0.02  -0.20     0.16   0.13   0.08
    11   1     0.18   0.41  -0.12    -0.09   0.26   0.05     0.16  -0.33  -0.03
    12   1     0.10   0.32   0.02     0.06  -0.42   0.21     0.03   0.30  -0.11
    13   1    -0.02  -0.04  -0.12     0.01   0.02  -0.06    -0.05  -0.08   0.09
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1147.1333              1212.9292              1234.4147
 Red. masses --      2.3237                 2.3184                 1.8866
 Frc consts  --      1.8016                 2.0096                 1.6938
 IR Inten    --     10.8472                19.4995                 9.6585
 RamAct Fr= 1--      1.4390                 4.2270                 3.3928
  Dep-P Fr= 1--      0.5906                 0.3880                 0.3810
  Dep-U Fr= 1--      0.7426                 0.5590                 0.5518
 Alpha2 Fr= 1--      0.0043                 0.0327                 0.0269
 Beta2  Fr= 1--      0.1781                 0.3938                 0.3120
 AlphaG Fr= 1--     -0.0059                 0.0100                -0.0098
 Gamma2 Fr= 1--      0.3238                -1.2562                 1.2390
 Delta2 Fr= 1--     -0.3083                -0.1469                -0.1630
 Raman1 Fr= 1--       5.756                 16.908                 13.571
 ROA1   Fr= 1--      21.219               -125.295                113.727
 CID1   Fr= 1--       3.686                 -7.410                  8.380
 Raman2 Fr= 1--       2.137                  4.726                  3.744
 ROA2   Fr= 1--      10.237                -28.974                 31.040
 CID2   Fr= 1--       4.790                 -6.131                  8.290
 Raman3 Fr= 1--       4.274                  9.452                  7.489
 ROA3   Fr= 1--      21.219               -125.295                113.727
 CID3   Fr= 1--       4.964                -13.256                 15.186
 RC180  Fr= 1--       0.485                  0.118                  0.104
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.09  -0.08     0.01   0.00  -0.02    -0.06   0.04  -0.09
     2   6    -0.06   0.24   0.05    -0.04  -0.01   0.07     0.14  -0.07   0.15
     3   6    -0.07  -0.07  -0.05     0.20   0.15  -0.12    -0.08  -0.05  -0.02
     4   8     0.04  -0.04   0.01    -0.06   0.06   0.01     0.01  -0.00   0.01
     5   7     0.07  -0.09   0.03     0.02  -0.02  -0.02    -0.04   0.00  -0.08
     6   8    -0.00   0.06   0.01    -0.01  -0.13   0.03     0.01   0.04   0.00
     7   1    -0.34   0.45   0.05    -0.51   0.22   0.05    -0.06   0.21   0.16
     8   1     0.14   0.31   0.16     0.02   0.01   0.05     0.02  -0.20   0.14
     9   1    -0.35  -0.11  -0.08    -0.08  -0.04  -0.02    -0.05  -0.33  -0.10
    10   1    -0.29  -0.23  -0.02    -0.06  -0.01   0.04     0.15   0.21   0.20
    11   1    -0.05  -0.10   0.09    -0.11   0.23   0.03    -0.01   0.61  -0.08
    12   1     0.04  -0.28   0.10    -0.02  -0.34   0.12     0.12  -0.28   0.23
    13   1     0.09   0.12  -0.07    -0.40  -0.45   0.12     0.12   0.14  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1315.1035              1391.3533              1410.0174
 Red. masses --      1.3934                 1.2704                 1.3168
 Frc consts  --      1.4199                 1.4490                 1.5425
 IR Inten    --     10.3296                 6.8389                91.6185
 RamAct Fr= 1--      3.2424                 4.1275                 2.3189
  Dep-P Fr= 1--      0.7018                 0.7354                 0.3484
  Dep-U Fr= 1--      0.8248                 0.8476                 0.5168
 Alpha2 Fr= 1--      0.0027                 0.0010                 0.0205
 Beta2  Fr= 1--      0.4457                 0.5830                 0.1997
 AlphaG Fr= 1--      0.0035                -0.0052                -0.0109
 Gamma2 Fr= 1--     -0.1175                 1.2069                 0.6202
 Delta2 Fr= 1--      0.0296                -0.7054                -0.0574
 Raman1 Fr= 1--      12.970                 16.510                  9.276
 ROA1   Fr= 1--     -10.332                 93.294                 57.700
 CID1   Fr= 1--      -0.797                  5.651                  6.221
 Raman2 Fr= 1--       5.348                  6.997                  2.397
 ROA2   Fr= 1--      -3.057                 34.610                 15.344
 CID2   Fr= 1--      -0.571                  4.947                  6.402
 Raman3 Fr= 1--      10.697                 13.993                  4.793
 ROA3   Fr= 1--     -10.332                 93.294                 57.700
 CID3   Fr= 1--      -0.966                  6.667                 12.037
 RC180  Fr= 1--       0.650                  0.695                  0.034
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.02  -0.07    -0.03   0.01  -0.01    -0.06  -0.10  -0.04
     2   6    -0.14  -0.08   0.01     0.06  -0.10  -0.05     0.02   0.03   0.01
     3   6     0.01   0.01   0.04    -0.02  -0.01  -0.01    -0.06  -0.04   0.01
     4   8    -0.00   0.01  -0.01    -0.00   0.01   0.00     0.00   0.03  -0.00
     5   7     0.02   0.01  -0.00    -0.01   0.01   0.07    -0.00   0.00  -0.01
     6   8     0.02   0.00  -0.01     0.00   0.01  -0.00     0.06   0.02  -0.01
     7   1     0.76   0.46   0.11    -0.38   0.75  -0.03     0.02  -0.12  -0.00
     8   1     0.12   0.10   0.16     0.03   0.08   0.10     0.03   0.44   0.18
     9   1    -0.16  -0.10  -0.07     0.13  -0.03  -0.01     0.21   0.38   0.01
    10   1    -0.08   0.03   0.16     0.13   0.08  -0.02     0.41   0.21   0.22
    11   1    -0.07   0.02   0.03     0.04  -0.31   0.04     0.00   0.00  -0.01
    12   1    -0.04  -0.03  -0.02    -0.06   0.29  -0.13    -0.00  -0.06   0.03
    13   1    -0.13  -0.14   0.06     0.03   0.03   0.00    -0.36  -0.37   0.11
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1414.6718              1491.3144              1500.7296
 Red. masses --      1.4639                 1.0487                 1.0544
 Frc consts  --      1.7261                 1.3741                 1.3992
 IR Inten    --    305.6757                 3.5444                10.8186
 RamAct Fr= 1--      1.8555                 3.8546                 3.2631
  Dep-P Fr= 1--      0.1376                 0.7498                 0.7327
  Dep-U Fr= 1--      0.2419                 0.8570                 0.8457
 Alpha2 Fr= 1--      0.0296                 0.0000                 0.0010
 Beta2  Fr= 1--      0.0748                 0.5506                 0.4600
 AlphaG Fr= 1--     -0.0169                -0.0003                 0.0012
 Gamma2 Fr= 1--      0.0024                -0.8040                -0.1692
 Delta2 Fr= 1--      0.0484                 0.3710                -0.4479
 Raman1 Fr= 1--       7.422                 15.418                 13.053
 ROA1   Fr= 1--       1.777                -65.310                -30.572
 CID1   Fr= 1--       0.239                 -4.236                 -2.342
 Raman2 Fr= 1--       0.898                  6.607                  5.519
 ROA2   Fr= 1--      -0.331                -22.263                 -0.477
 CID2   Fr= 1--      -0.369                 -3.370                 -0.086
 Raman3 Fr= 1--       1.795                 13.214                 11.039
 ROA3   Fr= 1--       1.777                -65.310                -30.572
 CID3   Fr= 1--       0.990                 -4.942                 -2.769
 RC180  Fr= 1--      -0.516                  0.714                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.07  -0.04    -0.03   0.02  -0.04     0.04  -0.01  -0.03
     2   6    -0.04  -0.01   0.02    -0.01   0.02  -0.01     0.03  -0.01  -0.02
     3   6     0.09   0.08  -0.03     0.00   0.00  -0.00    -0.01  -0.01   0.00
     4   8     0.01  -0.05   0.00     0.00  -0.00   0.00    -0.00   0.01  -0.00
     5   7     0.01  -0.01  -0.01     0.00  -0.00   0.00    -0.01   0.00   0.01
     6   8    -0.09  -0.03   0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   1     0.08  -0.00   0.03     0.00  -0.07  -0.02    -0.09   0.04  -0.02
     8   1     0.04   0.33   0.14     0.18  -0.28   0.62    -0.02  -0.39  -0.11
     9   1     0.10   0.31  -0.00     0.59   0.06  -0.01    -0.27   0.52   0.01
    10   1     0.27   0.17   0.24    -0.35  -0.13   0.01    -0.29   0.04   0.62
    11   1    -0.04   0.08   0.01    -0.01   0.01   0.01     0.01  -0.04   0.00
    12   1    -0.00  -0.01  -0.02    -0.01   0.00  -0.01    -0.00   0.05  -0.02
    13   1     0.50   0.53  -0.17     0.00   0.00  -0.00    -0.01  -0.01   0.00
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1659.4813              1838.8535              3034.2897
 Red. masses --      1.0914                 9.6535                 1.0479
 Frc consts  --      1.7708                19.2322                 5.6843
 IR Inten    --     35.0591               312.5112                 8.0170
 RamAct Fr= 1--      2.9879                13.3111               210.8790
  Dep-P Fr= 1--      0.6078                 0.2957                 0.0349
  Dep-U Fr= 1--      0.7561                 0.4565                 0.0675
 Alpha2 Fr= 1--      0.0078                 0.1383                 4.3173
 Beta2  Fr= 1--      0.3765                 1.0127                 2.3717
 AlphaG Fr= 1--     -0.0016                 0.1199                 0.0019
 Gamma2 Fr= 1--      0.0589                 0.6871                -0.1187
 Delta2 Fr= 1--     -0.0952                 0.1322                 0.0388
 Raman1 Fr= 1--      11.952                 53.244                843.516
 ROA1   Fr= 1--       2.609                 70.195                -10.154
 CID1   Fr= 1--       0.218                  1.318                 -0.012
 Raman2 Fr= 1--       4.518                 12.152                 28.460
 ROA2   Fr= 1--       2.176                 15.433                 -3.160
 CID2   Fr= 1--       0.482                  1.270                 -0.111
 Raman3 Fr= 1--       9.036                 24.304                 56.920
 ROA3   Fr= 1--       2.609                 70.195                -10.154
 CID3   Fr= 1--       0.289                  2.888                 -0.178
 RC180  Fr= 1--       0.512                 -0.087                 -0.865
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.02  -0.02  -0.04
     2   6    -0.03  -0.01  -0.00     0.03  -0.03  -0.00    -0.00  -0.00   0.03
     3   6     0.01   0.01  -0.00    -0.37   0.61  -0.00     0.00  -0.00   0.00
     4   8    -0.00  -0.00   0.00     0.23  -0.38   0.00    -0.00   0.00   0.00
     5   7    -0.05   0.05  -0.02     0.00  -0.01   0.00     0.00  -0.00  -0.00
     6   8    -0.00  -0.00   0.00     0.06  -0.04  -0.01    -0.00  -0.00   0.00
     7   1     0.01   0.03   0.00    -0.03   0.03  -0.00     0.03   0.03  -0.41
     8   1     0.01   0.01   0.03    -0.02  -0.10  -0.04     0.43  -0.01  -0.15
     9   1     0.01   0.02  -0.00    -0.03  -0.00   0.01    -0.02  -0.05   0.72
    10   1    -0.01  -0.00   0.01    -0.07  -0.00   0.01    -0.13   0.27  -0.09
    11   1     0.51  -0.43  -0.24    -0.00   0.01   0.00     0.00  -0.00   0.01
    12   1     0.37  -0.24   0.54    -0.01  -0.03  -0.01    -0.00  -0.00   0.00
    13   1     0.02   0.02  -0.02    -0.38  -0.32   0.12     0.00   0.00   0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   3042.8332              3097.9958              3134.0153
 Red. masses --      1.0737                 1.1007                 1.0997
 Frc consts  --      5.8570                 6.2242                 6.3637
 IR Inten    --     18.0732                26.5169                 6.5114
 RamAct Fr= 1--     29.1865                55.6040                51.2285
  Dep-P Fr= 1--      0.7120                 0.4870                 0.5900
  Dep-U Fr= 1--      0.8318                 0.6550                 0.7421
 Alpha2 Fr= 1--      0.0192                 0.2914                 0.1528
 Beta2  Fr= 1--      4.0461                 6.0699                 6.3363
 AlphaG Fr= 1--     -0.0043                 0.0980                -0.1991
 Gamma2 Fr= 1--      0.0425                 3.8192                -4.3293
 Delta2 Fr= 1--     -0.2565                 2.4944                -1.1600
 Raman1 Fr= 1--     116.746                222.416                204.914
 ROA1   Fr= 1--      -4.132                446.467               -452.731
 CID1   Fr= 1--      -0.035                  2.007                 -2.209
 Raman2 Fr= 1--      48.553                 72.839                 76.035
 ROA2   Fr= 1--       3.072                 71.707                -94.624
 CID2   Fr= 1--       0.063                  0.984                 -1.244
 Raman3 Fr= 1--      97.105                145.677                152.071
 ROA3   Fr= 1--      -4.132                446.467               -452.731
 CID3   Fr= 1--      -0.043                  3.065                 -2.977
 RC180  Fr= 1--       0.664                  0.310                  0.484
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.00    -0.05  -0.01   0.07     0.06  -0.07   0.02
     2   6     0.00   0.01  -0.07    -0.00  -0.00   0.01     0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     4   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   7    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   1    -0.06  -0.06   0.88     0.01   0.01  -0.17    -0.00   0.00  -0.03
     8   1     0.32  -0.01  -0.11     0.71  -0.02  -0.22    -0.33   0.00   0.12
     9   1    -0.01  -0.01   0.22    -0.00   0.04  -0.62     0.01   0.00  -0.18
    10   1    -0.09   0.18  -0.06    -0.08   0.14  -0.03    -0.37   0.80  -0.24
    11   1    -0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    12   1     0.01  -0.00  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3444.9924              3500.6117              3585.0116
 Red. masses --      1.0641                 1.0513                 1.0923
 Frc consts  --      7.4406                 7.5906                 8.2713
 IR Inten    --    266.6345                 0.5317                 9.9231
 RamAct Fr= 1--     70.0303                90.5900                52.4245
  Dep-P Fr= 1--      0.0857                 0.0756                 0.5454
  Dep-U Fr= 1--      0.1579                 0.1406                 0.7058
 Alpha2 Fr= 1--      1.2695                 1.6828                 0.2057
 Beta2  Fr= 1--      1.8435                 2.1233                 6.1670
 AlphaG Fr= 1--      0.1554                -0.1818                 0.1010
 Gamma2 Fr= 1--      0.2267                -1.2865                 0.3931
 Delta2 Fr= 1--      1.0163                 0.0888                -1.1254
 Raman1 Fr= 1--     280.121                362.360                209.698
 ROA1   Fr= 1--      54.289               -120.659                  1.730
 CID1   Fr= 1--       0.194                 -0.333                  0.008
 Raman2 Fr= 1--      22.122                 25.479                 74.003
 ROA2   Fr= 1--      -2.689                -31.586                 18.439
 CID2   Fr= 1--      -0.122                 -1.240                  0.249
 Raman3 Fr= 1--      44.243                 50.959                148.007
 ROA3   Fr= 1--      54.289               -120.659                  1.730
 CID3   Fr= 1--       1.227                 -2.368                  0.012
 RC180  Fr= 1--      -0.684                 -0.719                  0.412
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   8    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   7     0.01  -0.00   0.00    -0.05   0.01  -0.03    -0.03   0.02   0.07
     6   8     0.04  -0.04  -0.00     0.01  -0.01  -0.00     0.00  -0.00  -0.00
     7   1     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00   0.00  -0.02
     8   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   1     0.00  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.04  -0.00  -0.08     0.32   0.00   0.78    -0.22  -0.00  -0.46
    12   1    -0.05   0.02   0.05     0.33  -0.19  -0.36     0.58  -0.30  -0.55
    13   1    -0.67   0.73   0.02    -0.08   0.09   0.00    -0.01   0.02   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Molecular mass:    89.04768 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   369.46428 525.57134 834.82501
           X            0.99801   0.06280   0.00550
           Y           -0.06285   0.99799   0.00854
           Z           -0.00495  -0.00887   0.99995
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.23443     0.16480     0.10375
 Rotational constants (GHZ):           4.88475     3.43387     2.16182
 Zero-point vibrational energy     283968.8 (Joules/Mol)
                                   67.87018 (Kcal/Mol)
 Warning -- explicit consideration of   8 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     83.14   332.55   395.65   402.31   510.14
          (Kelvin)            590.01   763.42   818.40  1063.42  1157.81
                             1217.97  1266.54  1351.31  1468.77  1556.49
                             1650.47  1745.13  1776.05  1892.14  2001.85
                             2028.70  2035.40  2145.67  2159.22  2387.62
                             2645.70  4365.67  4377.96  4457.32  4509.15
                             4956.58  5036.60  5158.03
 
 Zero-point correction=                           0.108158 (Hartree/Particle)
 Thermal correction to Energy=                    0.114761
 Thermal correction to Enthalpy=                  0.115706
 Thermal correction to Gibbs Free Energy=         0.077731
 Sum of electronic and zero-point Energies=           -323.796587
 Sum of electronic and thermal Energies=              -323.789984
 Sum of electronic and thermal Enthalpies=            -323.789040
 Sum of electronic and thermal Free Energies=         -323.827015
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   72.014             23.351             79.925
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.372
 Rotational               0.889              2.981             26.586
 Vibrational             70.236             17.389             13.967
 Vibration     1          0.596              1.974              4.531
 Vibration     2          0.653              1.793              1.870
 Vibration     3          0.677              1.720              1.565
 Vibration     4          0.680              1.711              1.536
 Vibration     5          0.730              1.566              1.146
 Vibration     6          0.774              1.448              0.926
 Vibration     7          0.886              1.182              0.586
 Vibration     8          0.925              1.099              0.507
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.176363D-35        -35.753591        -82.325687
 Total V=0       0.989913D+14         13.995597         32.226053
 Vib (Bot)       0.370489D-48        -48.431225       -111.517016
 Vib (Bot)    1  0.357465D+01          0.553234          1.273868
 Vib (Bot)    2  0.851704D+00         -0.069711         -0.160516
 Vib (Bot)    3  0.700997D+00         -0.154284         -0.355252
 Vib (Bot)    4  0.687712D+00         -0.162593         -0.374385
 Vib (Bot)    5  0.518804D+00         -0.284997         -0.656229
 Vib (Bot)    6  0.431406D+00         -0.365114         -0.840705
 Vib (Bot)    7  0.301238D+00         -0.521090         -1.199854
 Vib (Bot)    8  0.270886D+00         -0.567214         -1.306058
 Vib (V=0)       0.207952D+02          1.317964          3.034724
 Vib (V=0)    1  0.410945D+01          0.613784          1.413289
 Vib (V=0)    2  0.148762D+01          0.172493          0.397180
 Vib (V=0)    3  0.136104D+01          0.133872          0.308252
 Vib (V=0)    4  0.135026D+01          0.130419          0.300300
 Vib (V=0)    5  0.122053D+01          0.086547          0.199282
 Vib (V=0)    6  0.116039D+01          0.064603          0.148754
 Vib (V=0)    7  0.108373D+01          0.034922          0.080412
 Vib (V=0)    8  0.106866D+01          0.028841          0.066410
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.330284D+08          7.518888         17.312879
 Rotational      0.144127D+06          5.158745         11.878450
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3 3          3 333                                         1      1    11111  1  11 1 1 1                                    
     5  5 4          1 000                                         8      6    54443  3  22 1 0 0  9 8 88 7     5 5   4 3 222        
     8  0 4          3 943                                         3      5    09119  1  31 4 8 2  3 8 40 3     6 3   1 5 873     5  
     5  1 5          4 834                                         9      9    11501  5  43 7 2 1  9 0 75 9     9 1   0 5 051     8  
 
     X  X X          X XXX                                         X      X    XXXXX  X  XX X X X  X X XX X     X X   X X XXX     X  
          X            X                                           X      X      XX           X    X X X                             
          X                                                        X             XX           X      X X                             
          X                                                        X             XX                  X X                             
          X                                                        X             XX                  X X                             
          X                                                        X             XX                    X                             
          X                                                        X             X                     X                             
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
                                                                   X             X                                                   
                                                                   X             X                                                   
                                                                   X             X                                                   
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000011566   -0.000004009   -0.000001502
      2        6           0.000022749    0.000009789   -0.000008385
      3        6          -0.000039041   -0.000008523    0.000008490
      4        8           0.000006385   -0.000009368    0.000000079
      5        7           0.000007820   -0.000004674   -0.000002018
      6        8          -0.000016107    0.000022782   -0.000002887
      7        1          -0.000000958   -0.000006978    0.000004706
      8        1          -0.000002105    0.000002909   -0.000001779
      9        1          -0.000003224    0.000001910    0.000000430
     10        1          -0.000002183    0.000002641    0.000000762
     11        1          -0.000002890    0.000002049   -0.000000885
     12        1          -0.000001593   -0.000000872    0.000002398
     13        1           0.000019581   -0.000007656    0.000000592
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000039041 RMS     0.000010236
 Force constants in Cartesian coordinates: 
                1             2             3             4             5 
      1  0.553672D+00
      2 -0.493741D-01  0.513378D+00
      3 -0.212447D-01 -0.364314D-01  0.547200D+00
      4 -0.110596D+00 -0.334432D-01 -0.251022D-01  0.445291D+00
      5 -0.439173D-01 -0.126987D+00 -0.377217D-01  0.451041D-02  0.475439D+00
      6 -0.302709D-01 -0.314890D-01 -0.991322D-01  0.191190D-02 -0.678461D-02
      7 -0.232467D-01 -0.138142D-01  0.172997D-02 -0.140724D+00  0.508923D-02
      8 -0.249321D-01  0.284929D-02  0.720795D-02 -0.170457D-01 -0.688647D-01
      9 -0.155749D-01  0.319883D-02  0.550874D-02  0.148585D-01 -0.728748D-02
     10  0.398955D-03  0.164560D-02  0.972246D-03 -0.153433D-01  0.347697D-01
     11 -0.189020D-02 -0.312163D-02 -0.550199D-03  0.172659D-01 -0.105282D-01
     12  0.153360D-02 -0.197282D-03 -0.409008D-04  0.479887D-02 -0.466705D-02
     13  0.748745D-02 -0.131318D-01  0.408234D-02 -0.808063D-01  0.631939D-01
     14  0.150010D-01 -0.399341D-01  0.104863D-01  0.181201D-01 -0.165096D+00
     15  0.523512D-02 -0.860519D-02  0.411428D-02  0.211138D-03  0.260658D-01
     16 -0.438377D-02  0.197991D-02  0.360328D-02 -0.207778D-01 -0.299114D-01
     17 -0.218483D-02  0.263325D-02  0.137880D-02 -0.761547D-02 -0.164771D-01
     18  0.362779D-02 -0.240479D-02 -0.234819D-02  0.105198D-01  0.141949D-01
     19  0.959342D-03 -0.541575D-03 -0.193726D-01 -0.481589D-01 -0.899504D-03
     20  0.213696D-03 -0.926855D-04 -0.270035D-01  0.156194D-02 -0.458275D-01
     21  0.216054D-04 -0.177243D-02 -0.137521D-01  0.153961D-01  0.177815D-01
     22 -0.283179D+00  0.733605D-02  0.783986D-01 -0.176018D-01  0.196382D-02
     23  0.950882D-02 -0.470759D-01 -0.186254D-02 -0.276972D-01 -0.183090D-02
     24  0.800150D-01 -0.245739D-02 -0.745804D-01 -0.153424D-01  0.505306D-03
     25 -0.479660D-01 -0.102126D-02  0.694868D-02 -0.137672D-02  0.116716D-02
     26 -0.208638D-03 -0.483634D-01  0.204163D-01 -0.711313D-03 -0.907026D-03
     27  0.568100D-02  0.193669D-01 -0.303384D+00 -0.168002D-02  0.827147D-03
     28 -0.929360D-01  0.995437D-01 -0.303565D-01  0.782462D-02 -0.132893D-01
     29  0.951293D-01 -0.253693D+00  0.616576D-01  0.104076D-01 -0.200531D-01
     30 -0.293935D-01  0.627864D-01 -0.661905D-01  0.732188D-02 -0.111651D-01
     31  0.680705D-03 -0.311889D-03  0.637447D-03 -0.543741D-02 -0.514797D-02
     32 -0.527853D-03  0.289108D-02  0.204432D-02  0.147486D-01 -0.356598D-02
     33  0.117296D-02 -0.242318D-02  0.318478D-02 -0.500205D-02  0.427823D-03
     34  0.902079D-03 -0.111008D-02 -0.853293D-04 -0.100970D-01 -0.406519D-02
     35  0.174815D-02 -0.112729D-02  0.345965D-03  0.241191D-01 -0.143234D-01
     36 -0.384064D-03  0.173777D-03 -0.741434D-03 -0.933341D-02  0.602318D-02
     37 -0.179324D-02  0.224275D-02 -0.211256D-03 -0.219684D-02 -0.134636D-01
     38  0.143409D-02 -0.135744D-02  0.321171D-04 -0.422068D-02 -0.977778D-03
     39 -0.419070D-03  0.254727D-03  0.161375D-03  0.144183D-02  0.180036D-02
                6             7             8             9            10 
      6  0.572598D+00
      7  0.107125D-01  0.625306D+00
      8  0.563863D-03 -0.216376D+00  0.917842D+00
      9 -0.954093D-01 -0.513494D-01 -0.420578D-01  0.244851D+00
     10  0.208307D-02 -0.288172D+00  0.282127D+00  0.496956D-02  0.280713D+00
     11 -0.111276D-02  0.294344D+00 -0.559872D+00  0.327117D-02 -0.323133D+00
     12  0.191768D-01  0.387038D-02  0.504813D-02 -0.778894D-01 -0.670722D-02
     13 -0.134613D-01 -0.177915D-01  0.193185D-01 -0.614385D-02 -0.674724D-02
     14  0.183846D-01  0.864381D-02 -0.189020D-01  0.357851D-02  0.543818D-02
     15 -0.105223D+00  0.236165D-02 -0.576719D-02  0.254382D-02  0.300632D-02
     16  0.103703D-01 -0.184150D+00 -0.530851D-01  0.309063D-01  0.387660D-01
     17  0.821708D-02 -0.106361D+00 -0.206235D+00  0.388343D-01  0.331692D-03
     18  0.186876D-01  0.371141D-01  0.283578D-01 -0.669406D-01 -0.420265D-02
     19  0.263215D-01 -0.244197D-02 -0.768497D-03  0.363761D-01 -0.149727D-02
     20  0.102470D-01 -0.139563D-02  0.334406D-03 -0.810196D-03  0.915874D-03
     21 -0.300021D+00  0.325344D-02  0.376795D-03 -0.101252D-01  0.397540D-03
     22  0.448794D-02  0.104775D-02 -0.158238D-02 -0.237060D-02 -0.274102D-03
     23  0.700641D-02  0.154823D-02 -0.544569D-02 -0.318740D-02 -0.116635D-03
     24  0.353665D-02 -0.482629D-03 -0.324202D-02 -0.813577D-03 -0.257683D-03
     25 -0.195679D-01  0.178023D-02 -0.396467D-03 -0.146530D-02 -0.443632D-03
     26 -0.270870D-01  0.166837D-02  0.702108D-03 -0.284286D-04 -0.109365D-04
     27 -0.144823D-01  0.186422D-02 -0.510272D-03 -0.574396D-04 -0.755762D-03
     28  0.638465D-02  0.707371D-03 -0.202671D-02  0.632463D-03 -0.189750D-02
     29  0.798625D-02  0.170909D-02 -0.347112D-02  0.335715D-03  0.711297D-03
     30  0.301126D-02 -0.337160D-03  0.725183D-03  0.467299D-03 -0.198739D-03
     31 -0.789389D-02  0.377757D-03  0.261503D-02 -0.255285D-02 -0.781896D-03
     32  0.362675D-01 -0.565112D-03 -0.382726D-03  0.884326D-03  0.460447D-03
     33 -0.904029D-02  0.177091D-03  0.333652D-03 -0.325720D-03  0.190084D-03
     34  0.490376D-02 -0.230233D-04  0.165649D-02 -0.893850D-03 -0.192770D-02
     35 -0.219916D-01 -0.278820D-02 -0.596732D-02  0.198663D-02  0.180286D-02
     36  0.750285D-02 -0.358238D-03  0.291257D-02  0.103680D-03 -0.165071D-02
     37  0.401837D-02  0.273296D-01  0.104959D-01 -0.739220D-02 -0.279255D-02
     38 -0.207601D-03  0.282978D-01 -0.525872D-01  0.128188D-02 -0.494179D-02
     39 -0.120558D-02 -0.855587D-02  0.605135D-02 -0.191347D-02  0.215395D-02
               11            12            13            14            15 
     11  0.677888D+00
     12 -0.165515D-01  0.355410D-01
     13  0.764545D-02  0.172736D-02  0.429196D+00
     14  0.497443D-03 -0.586781D-03 -0.193521D+00  0.345620D+00
     15 -0.156049D-02  0.101022D-02 -0.169603D-01  0.568471D-01  0.676806D+00
     16  0.184775D-01 -0.664441D-02 -0.178039D-01  0.727851D-03  0.410130D-02
     17 -0.108125D+00  0.154541D-01  0.163506D-01  0.525485D-02 -0.290265D-02
     18  0.120851D-01  0.140695D-01  0.183955D-03 -0.416243D-03  0.544278D-02
     19  0.424518D-04 -0.444302D-02 -0.953646D-03  0.489814D-02 -0.152304D-01
     20 -0.236857D-03  0.290874D-03  0.244925D-02 -0.927026D-02  0.342753D-01
     21  0.209384D-03  0.184890D-02 -0.821886D-03  0.280283D-02 -0.831212D-02
     22 -0.494572D-03  0.265457D-03  0.238531D-02  0.636197D-03 -0.928904D-04
     23  0.193817D-02  0.663194D-03  0.126913D-02  0.283317D-02  0.534454D-04
     24  0.388651D-03  0.401628D-03  0.218205D-04  0.107570D-02 -0.708044D-04
     25  0.552243D-03  0.756423D-03 -0.224216D-03  0.122364D-02  0.796901D-03
     26  0.254153D-03 -0.338991D-03 -0.642859D-04  0.295221D-02 -0.711795D-03
     27  0.517780D-03  0.413318D-03  0.321515D-03  0.439896D-03  0.201341D-02
     28  0.794228D-03 -0.102939D-03 -0.837624D-03 -0.462041D-02 -0.118426D-02
     29  0.284403D-02 -0.633922D-04 -0.284656D-02 -0.492938D-02 -0.202561D-02
     30 -0.385106D-03 -0.688211D-03 -0.217689D-02 -0.381626D-02  0.288041D-03
     31 -0.103829D-03  0.734959D-03 -0.103977D+00  0.221000D-01 -0.164216D+00
     32 -0.562080D-03 -0.611128D-03  0.112642D-01 -0.419839D-01 -0.322397D-01
     33 -0.149446D-03 -0.152100D-04 -0.125843D+00 -0.594705D-02 -0.353871D+00
     34  0.176950D-02  0.322059D-03 -0.216923D+00  0.120777D+00  0.185722D+00
     35  0.225868D-03 -0.405629D-03  0.894031D-01 -0.716301D-01 -0.628321D-01
     36  0.546217D-03  0.227972D-04  0.160239D+00 -0.820402D-01 -0.216153D+00
     37 -0.152691D-01  0.388849D-02  0.699624D-02  0.575045D-03 -0.375097D-02
     38 -0.120090D-02  0.196547D-02 -0.133059D-02 -0.541152D-02 -0.596808D-03
     39  0.329129D-02  0.614958D-02 -0.116869D-02 -0.808253D-03 -0.858898D-02
               16            17            18            19            20 
     16  0.449117D+00
     17 -0.923251D-01  0.522741D+00
     18 -0.611647D-01 -0.489899D-01  0.529998D-01
     19 -0.362269D-02 -0.219109D-02 -0.385046D-02  0.551533D-01
     20 -0.498620D-03  0.458030D-03 -0.567695D-03 -0.189361D-02  0.600433D-01
     21  0.114632D-02 -0.187353D-03  0.683910D-03 -0.170882D-01 -0.187128D-01
     22 -0.991087D-03 -0.112773D-02  0.643738D-03  0.648206D-03  0.363313D-03
     23 -0.176799D-02 -0.754277D-03  0.118566D-02  0.111877D-02  0.107444D-02
     24 -0.122435D-02 -0.506309D-03  0.599801D-03 -0.711963D-04  0.945151D-03
     25 -0.589166D-04  0.152382D-03  0.236792D-03 -0.121016D-02 -0.300408D-02
     26  0.819454D-04 -0.332745D-03  0.188684D-03 -0.298546D-02 -0.353274D-02
     27 -0.621020D-03 -0.506558D-03  0.151032D-03 -0.168994D-02 -0.197584D-02
     28  0.164630D-03  0.113700D-02 -0.275253D-03  0.767320D-03  0.476622D-03
     29 -0.376773D-03  0.165004D-02 -0.152275D-03  0.280802D-03  0.759568D-03
     30  0.976501D-05 -0.822427D-04  0.101745D-03  0.655318D-03  0.362219D-03
     31 -0.161589D-02 -0.265498D-03  0.236852D-02 -0.804854D-04  0.278362D-03
     32 -0.767178D-03  0.477548D-03  0.115834D-02  0.302683D-02 -0.575501D-02
     33  0.664187D-03 -0.674077D-03 -0.510944D-03 -0.144283D-02  0.162177D-02
     34 -0.220804D-02  0.106879D-02 -0.796286D-03  0.993839D-03 -0.111742D-03
     35 -0.298361D-02  0.272305D-02 -0.119956D-02 -0.606680D-03  0.228231D-02
     36 -0.126351D-02  0.279245D-03  0.260281D-03 -0.991809D-03  0.101832D-02
     37 -0.252436D+00  0.193031D+00  0.155946D-01 -0.556806D-03  0.644632D-03
     38  0.160449D+00 -0.204013D+00 -0.343991D-02  0.519430D-03 -0.237010D-03
     39  0.201165D-01 -0.103144D-01 -0.231967D-01  0.827535D-03  0.309360D-03
               21            22            23            24            25 
     21  0.325662D+00
     22 -0.287119D-03  0.308905D+00
     23  0.421063D-03 -0.631827D-02  0.491285D-01
     24  0.941383D-03 -0.853345D-01  0.507099D-02  0.768063D-01
     25 -0.147271D-02  0.724988D-03 -0.274458D-02  0.308970D-01  0.480303D-01
     26 -0.212948D-02  0.151169D-03 -0.105904D-02 -0.123581D-02  0.379419D-02
     27  0.627938D-03  0.195650D-03  0.993038D-03 -0.884608D-02 -0.429489D-02
     28  0.614643D-04 -0.110027D-01  0.261441D-01 -0.868009D-02  0.879084D-04
     29 -0.294954D-03 -0.240681D-03  0.145980D-02 -0.799395D-03  0.127332D-03
     30  0.401913D-03  0.382229D-02 -0.104643D-01  0.218906D-02 -0.132463D-01
     31  0.458752D-03 -0.943889D-04 -0.162585D-03  0.431479D-03  0.530085D-03
     32  0.162526D-02 -0.354945D-03 -0.402648D-03  0.259003D-04  0.115113D-03
     33  0.126640D-02  0.280719D-03  0.485243D-03 -0.194403D-03  0.504144D-03
     34 -0.718146D-03 -0.708653D-04 -0.738556D-04  0.207986D-03 -0.261028D-04
     35 -0.124804D-04 -0.690516D-03 -0.430707D-03 -0.403411D-04  0.357844D-04
     36  0.119604D-02  0.242688D-04 -0.233454D-03  0.135206D-03  0.486344D-04
     37 -0.347196D-03 -0.497342D-03 -0.707939D-03 -0.180548D-03  0.152245D-03
     38 -0.107392D-03  0.358543D-03  0.565162D-03  0.269574D-03 -0.145213D-05
     39 -0.417879D-03 -0.335711D-04 -0.131313D-03 -0.104702D-03 -0.141535D-03
               26            27            28            29            30 
     26  0.510939D-01
     27 -0.186359D-01  0.331542D+00
     28 -0.208134D-02  0.641372D-03  0.973127D-01
     29 -0.645979D-03  0.563953D-03 -0.105580D+00  0.276317D+00
     30  0.287183D-01 -0.794654D-02  0.331426D-01 -0.664191D-01  0.682806D-01
     31  0.563178D-03  0.347101D-03 -0.228340D-03  0.109618D-04  0.737946D-04
     32 -0.367433D-03 -0.139612D-02  0.150938D-03  0.604401D-03 -0.415284D-03
     33  0.892097D-03 -0.336830D-04 -0.251538D-03 -0.876509D-03 -0.147758D-03
     34  0.462855D-04  0.133291D-03 -0.370226D-03 -0.442904D-03  0.115646D-03
     35  0.899962D-04  0.179697D-03 -0.559928D-03 -0.495955D-03  0.276631D-03
     36  0.448440D-04  0.119881D-03 -0.211663D-04  0.155684D-03  0.218894D-03
     37 -0.243167D-03 -0.142516D-03  0.407887D-03  0.111034D-02  0.211274D-03
     38  0.115957D-03  0.136302D-03 -0.891243D-04 -0.347155D-03 -0.121244D-03
     39 -0.927367D-04 -0.118255D-03  0.914366D-05 -0.679487D-04  0.141677D-04
               31            32            33            34            35 
     31  0.101105D+00
     32 -0.188781D-01  0.497772D-01
     33  0.145375D+00  0.713283D-02  0.381927D+00
     34  0.980144D-02 -0.885676D-02 -0.145888D-01  0.218077D+00
     35 -0.606640D-03 -0.674759D-03 -0.118125D-02 -0.112336D+00  0.888756D-01
     36  0.284329D-01 -0.120276D-01 -0.230637D-01 -0.176023D+00  0.831932D-01
     37 -0.279858D-03  0.183843D-03 -0.123609D-02  0.187156D-02  0.346287D-02
     38 -0.910942D-04 -0.557368D-04  0.358096D-03  0.167835D-02  0.452701D-03
     39 -0.419771D-02 -0.244859D-02  0.825063D-03  0.170012D-02  0.168081D-02
               36            37            38            39 
     36  0.230623D+00
     37  0.128066D-02  0.223795D+00
     38 -0.458117D-04 -0.182062D+00  0.265054D+00
     39 -0.225245D-03 -0.117326D-01  0.475338D-03  0.286207D-01
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.595154D+02 -0.105219D+01 -0.437626D+00
      2  -0.105219D+01  0.613926D+02 -0.576699D+00
      3  -0.437626D+00 -0.576699D+00  0.448184D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.570470D+00  0.216543D+01  0.552464D+01
      2  -0.310777D+01 -0.172945D+01 -0.185694D+02
      3   0.290121D+01  0.104683D+02  0.126459D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.421451D+02 -0.366683D+00 -0.100693D+01
      2   0.256929D+02 -0.783004D+01  0.134737D+01
      3   0.164522D+02  0.819672D+01 -0.340450D+00
      4  -0.113055D+02 -0.203343D+02 -0.566569D+01
      5  -0.132650D+01 -0.674107D+01 -0.410689D+02
      6  -0.423792D+01 -0.221123D+01 -0.641414D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.503029D+01 -0.447741D+00 -0.218709D+01 -0.138132D+01 -0.309239D+01
      2  -0.447741D+00 -0.401541D+01 -0.115059D+00 -0.309239D+01  0.246108D+01
      3  -0.218709D+01 -0.115059D+00  0.151853D+00 -0.211018D+00 -0.182754D+01
                 6             7             8             9            10 
      1  -0.211018D+00 -0.265581D+01 -0.563069D+00  0.427159D+00 -0.382188D+01
      2  -0.182754D+01 -0.563069D+00 -0.218332D+01 -0.325718D-01  0.951076D+00
      3  -0.156108D+00  0.427159D+00 -0.325718D-01  0.663768D+01  0.537172D+00
                11            12            13            14            15 
      1   0.951076D+00  0.537172D+00  0.113680D+01  0.254460D+01  0.340521D+00
      2   0.362461D+01  0.371161D+00  0.254460D+01 -0.147423D+01  0.974977D+00
      3   0.371161D+00  0.739273D-01  0.340521D+00  0.974977D+00  0.569626D+00
                16            17            18            19            20 
      1   0.492946D+00  0.837264D+00  0.297456D+00  0.233343D+01  0.745076D+00
      2   0.837264D+00  0.176050D+01  0.229912D+00  0.745076D+00 -0.345813D+01
      3   0.297456D+00  0.229912D+00 -0.658236D+01  0.274179D-01  0.225711D+00
                21            22            23            24            25 
      1   0.274179D-01  0.219908D+01 -0.393196D+01  0.142521D+00 -0.613882D+00
      2   0.225711D+00 -0.393196D+01  0.342957D+01 -0.402691D-01  0.428925D+00
      3   0.101387D+00  0.142521D+00 -0.402691D-01  0.363879D+00  0.199805D-01
                26            27            28            29            30 
      1   0.428925D+00  0.199805D-01  0.542669D+01 -0.418008D+01  0.201475D+00
      2  -0.357296D+00  0.263730D+00 -0.418008D+01  0.413731D+01 -0.311085D+00
      3   0.263730D+00  0.541235D+00  0.201475D+00 -0.311085D+00  0.100772D+01
                31            32            33            34            35 
      1  -0.471146D+01  0.380332D+01  0.265680D-01  0.348409D+00 -0.181566D-01
      2   0.380332D+01 -0.102599D+02  0.174159D+00 -0.181566D-01  0.411332D-01
      3   0.265680D-01  0.174159D+00 -0.216911D+01  0.197668D+01 -0.278840D+01
                36            37            38            39            40 
      1   0.197668D+01  0.291440D+01 -0.139886D+01 -0.745801D+00 -0.104731D+01
      2  -0.278840D+01 -0.139886D+01 -0.316982D+00  0.303815D+00 -0.690525D+00
      3   0.161704D+00 -0.745801D+00  0.303815D+00  0.264387D+01  0.388019D+00
                41            42            43            44            45 
      1  -0.690525D+00  0.388019D+00 -0.978873D+00  0.566188D+00  0.275826D+01
      2   0.512548D+01 -0.787847D+00  0.566188D+00 -0.944419D+00 -0.250321D+00
      3  -0.787847D+00 -0.172224D+00  0.275826D+01 -0.250321D+00  0.279503D+01
                46            47            48            49            50 
      1   0.701148D+01  0.172399D+01 -0.670877D+00 -0.177030D+01  0.354140D+01
      2   0.172399D+01  0.350485D+01 -0.332669D+00  0.354140D+01  0.249258D+01
      3  -0.670877D+00 -0.332669D+00  0.928685D+00 -0.838856D-02 -0.337112D+00
                51            52            53            54            55 
      1  -0.838856D-02 -0.758743D+00 -0.463624D+00  0.126863D+01  0.205322D+00
      2  -0.337112D+00 -0.463624D+00 -0.392261D+00  0.175889D+01 -0.173726D+00
      3   0.888131D+00  0.126863D+01  0.175889D+01 -0.113413D+01  0.978843D+00
                56            57            58            59            60 
      1  -0.173726D+00  0.978843D+00 -0.467934D+00 -0.685866D+00  0.226248D-01
      2  -0.681321D+00 -0.407377D-01 -0.685866D+00  0.795821D-01  0.108085D+01
      3  -0.407377D-01 -0.437646D+00  0.226248D-01  0.108085D+01 -0.437915D+00
                61            62            63            64            65 
      1   0.175196D+01 -0.924679D-01 -0.607274D+00 -0.901749D+01 -0.135796D+01
      2  -0.924679D-01  0.147965D+01 -0.350373D-01 -0.135796D+01 -0.142416D+01
      3  -0.607274D+00 -0.350373D-01  0.858493D+01  0.140890D+01  0.108110D+00
                66            67            68            69            70 
      1   0.140890D+01  0.155430D+00 -0.811663D+00  0.123095D+00  0.226260D+01
      2   0.108110D+00 -0.811663D+00 -0.578081D+00  0.476366D+00  0.370242D+00
      3  -0.160110D+01  0.123095D+00  0.476366D+00  0.834238D-01 -0.139256D+01
                71            72            73            74            75 
      1   0.370242D+00 -0.139256D+01 -0.706759D+00 -0.114617D+00 -0.689039D+00
      2   0.966309D+00 -0.215153D+00 -0.114617D+00  0.505754D+00  0.461153D-01
      3  -0.215153D+00  0.371680D+00 -0.689039D+00  0.461153D-01  0.471553D-01
                76            77            78            79            80 
      1   0.324320D+00  0.189631D+00  0.136060D+00 -0.145250D+01 -0.359637D+00
      2   0.189631D+00 -0.394870D+00 -0.767412D+00 -0.359637D+00 -0.178060D+01
      3   0.136060D+00 -0.767412D+00  0.267163D+00 -0.961485D+00 -0.901285D+00
                81            82            83            84            85 
      1  -0.961485D+00  0.819143D+00 -0.643259D+00  0.489947D+00 -0.147281D+01
      2  -0.901285D+00 -0.643259D+00  0.229575D+01 -0.108902D+00  0.889714D+00
      3  -0.821863D+01  0.489947D+00 -0.108902D+00  0.635135D+00 -0.192266D+00
                86            87            88            89            90 
      1   0.889714D+00 -0.192266D+00  0.773877D+00  0.643842D-01  0.170190D+00
      2  -0.787352D+01  0.977515D+00  0.643842D-01  0.157093D+01 -0.113021D+01
      3   0.977515D+00 -0.138741D+01  0.170190D+00 -0.113021D+01  0.121969D+00
                91            92            93            94            95 
      1  -0.158717D+01  0.100965D+01 -0.130027D+01  0.714678D+00 -0.232498D+00
      2   0.100965D+01 -0.722058D+00  0.607057D+00 -0.232498D+00  0.615436D+00
      3  -0.130027D+01  0.607057D+00 -0.184508D+01  0.273858D+00 -0.410098D+00
                96            97            98            99           100 
      1   0.273858D+00 -0.271229D+01  0.671952D+00 -0.237758D+01 -0.445202D+01
      2  -0.410098D+00  0.671952D+00 -0.193046D+01  0.109075D+01  0.255696D+01
      3   0.206472D+00 -0.237758D+01  0.109075D+01 -0.518609D+01  0.158965D+01
               101           102           103           104           105 
      1   0.255696D+01  0.158965D+01  0.271857D+01 -0.148981D+01 -0.870732D+00
      2  -0.231580D+01 -0.993096D+00 -0.148981D+01  0.194156D+01  0.736481D+00
      3  -0.993096D+00 -0.173712D+01 -0.870732D+00  0.736481D+00  0.955608D+00
               106           107           108           109           110 
      1   0.319225D+01 -0.141778D+01 -0.194113D+01 -0.415545D+01  0.132949D+01
      2  -0.141778D+01  0.185422D+01  0.131162D+01  0.132949D+01 -0.113442D+01
      3  -0.194113D+01  0.131162D+01  0.215820D+01  0.359676D+00  0.239579D+00
               111           112           113           114           115 
      1   0.359676D+00  0.360225D+01 -0.339392D-01 -0.170863D+00  0.350049D+00
      2   0.239579D+00 -0.339392D-01  0.443532D+01 -0.250067D+00 -0.242198D-01
      3   0.312228D-01 -0.170863D+00 -0.250067D+00  0.988460D+00  0.361681D+00
               116           117 
      1  -0.242198D-01  0.361681D+00
      2  -0.843780D-01  0.698068D+00
      3   0.698068D+00 -0.251219D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.410297D+01  0.118368D-01 -0.404289D+00 -0.656070D+00 -0.648100D+01
      2   0.602795D+01  0.146989D+01  0.135233D+01  0.159696D+01  0.247278D+01
      3  -0.766762D+01 -0.889331D+01  0.294655D+01 -0.907797D+00  0.118976D+02
                 6             7             8             9            10 
      1  -0.271948D+01  0.107745D+01  0.229503D+01  0.841068D+01  0.100367D+01
      2   0.583491D+00 -0.348452D+01 -0.131818D+00 -0.931211D+01  0.107088D+01
      3  -0.289204D+01  0.324231D+01 -0.291453D+01 -0.836205D+00  0.363878D+01
                11            12            13            14            15 
      1   0.823817D+00 -0.173664D+00  0.157434D+01  0.556028D+00  0.534861D+00
      2   0.139356D+01  0.333953D+01 -0.106193D+01 -0.317844D+01 -0.948527D+00
      3  -0.268573D+01 -0.116554D+01  0.110724D+01 -0.279906D+01  0.131582D+01
                16            17            18            19            20 
      1   0.758272D-01  0.515494D+01 -0.858562D+00  0.136465D+00  0.113229D+01
      2  -0.312078D+01 -0.516245D+00  0.202218D+01 -0.483836D+01 -0.175620D+01
      3   0.527680D+00  0.254396D+01 -0.375569D+00  0.349139D+01  0.254329D+01
                21            22            23            24            25 
      1  -0.122294D+01  0.202039D+01  0.107125D+01  0.816827D+01  0.220025D+01
      2  -0.596528D+01 -0.162020D+01  0.113275D+01  0.259722D+01 -0.170939D+02
      3   0.685490D+00  0.165512D+01 -0.644810D+01 -0.164982D+01 -0.166702D+00
                26            27            28            29            30 
      1   0.988580D+01 -0.214399D+01 -0.372483D+00  0.358179D+00  0.420805D+01
      2  -0.780928D+00  0.334984D+01 -0.139417D+00  0.969876D-01  0.684337D+01
      3  -0.285590D+01 -0.681445D+00 -0.220493D+01 -0.824494D+01  0.205431D+00
                31            32            33            34            35 
      1  -0.235521D+00 -0.724054D+00 -0.866647D+01 -0.557865D+00  0.154599D+01
      2   0.168374D+01 -0.345259D+00 -0.463590D+01  0.273331D+01 -0.210943D+01
      3   0.683131D+01  0.136203D+02  0.242504D+00  0.680215D+00  0.570744D+00
                36            37            38            39            40 
      1   0.326649D+00  0.198444D+01 -0.160939D+01 -0.523863D+01 -0.252546D+01
      2  -0.908370D+00  0.179688D+01 -0.212428D+01  0.723002D+00 -0.126863D+01
      3   0.311949D+01  0.447340D+01 -0.956560D+01 -0.220120D+00  0.221333D+01
                41            42            43            44            45 
      1   0.284258D+01 -0.427924D+01 -0.675896D+01  0.507221D+01 -0.428852D+01
      2   0.163433D+01  0.828040D+00 -0.696320D+01  0.151219D+01 -0.230242D+01
      3   0.260939D+01  0.224190D+00 -0.140502D+01  0.380316D+00  0.526014D+01
                46            47            48            49            50 
      1   0.127908D+01 -0.117683D+01 -0.351819D+01 -0.761021D+00  0.484595D+00
      2   0.176664D+01 -0.399637D+00  0.605174D+01 -0.684140D+00 -0.252690D+00
      3   0.127575D+02 -0.125962D+02 -0.401099D+00 -0.707364D+01  0.156119D+01
                51            52            53            54            55 
      1  -0.522563D+01 -0.232552D+01  0.133840D+01  0.148408D+01  0.688679D-01
      2   0.111063D+01  0.332912D+01  0.223346D+01 -0.223688D+01 -0.135174D+00
      3   0.611883D+00 -0.138444D+01  0.184682D+01 -0.147279D+01 -0.645474D+00
                56            57            58            59            60 
      1  -0.741485D+00 -0.273942D+00 -0.793526D+00  0.253778D+00 -0.557283D+00
      2  -0.200855D+00  0.331387D+00  0.194900D+00  0.177453D+00  0.535265D+00
      3  -0.123474D+01  0.113265D+00  0.769496D+00  0.478749D+00  0.747684D+00
                61            62            63            64            65 
      1  -0.533395D+00  0.300921D+01  0.100962D+01  0.162272D+01 -0.237236D-01
      2  -0.255203D+01  0.312965D+00 -0.493100D+01 -0.359552D+01 -0.144607D+00
      3  -0.354227D+00  0.876729D+00  0.147587D+00  0.982811D+01 -0.351320D+01
                66            67            68            69            70 
      1  -0.224181D+01  0.215836D+00  0.647565D+00 -0.565679D+00 -0.147088D+01
      2   0.555193D+01 -0.306161D+00 -0.725344D+00 -0.312631D+00  0.147164D+01
      3  -0.201807D+01 -0.958516D-02  0.207361D-01  0.697103D+00 -0.224912D+01
                71            72            73            74            75 
      1   0.731862D+00  0.452197D+00 -0.733290D+00 -0.283994D+00 -0.215227D+00
      2   0.116826D+00 -0.125088D+01  0.825846D+00 -0.685193D-01  0.743633D+00
      3   0.185036D+01  0.135780D+01  0.630589D+00  0.144086D+00  0.826627D+00
                76            77            78            79            80 
      1  -0.937989D-01 -0.112263D+01 -0.540392D+00 -0.914039D+00  0.257238D+01
      2  -0.697228D-01  0.107542D+01 -0.190519D+00 -0.195586D+01  0.911835D+00
      3   0.782066D+00 -0.872482D+00 -0.987759D+00  0.164345D+01 -0.244503D+01
                81            82            83            84            85 
      1  -0.109107D+02  0.114842D+01 -0.488605D+00  0.170614D+01 -0.758895D+00
      2   0.124429D+02 -0.732939D+00 -0.114385D+00 -0.207011D+00  0.162637D+00
      3   0.313024D-01 -0.442367D+01  0.417842D+01 -0.135317D+01  0.653557D+01
                86            87            88            89            90 
      1   0.304427D+01 -0.430653D+01  0.493453D+00 -0.698530D+00  0.570050D+00
      2  -0.911443D+00  0.151967D+01 -0.121667D+01  0.107303D+01 -0.283699D-01
      3  -0.138392D+02  0.214626D+01 -0.185533D+01  0.244807D+01 -0.186768D+01
                91            92            93            94            95 
      1   0.226589D+01 -0.399030D+00  0.362180D+01 -0.434691D+00  0.135637D+01
      2   0.607172D+00 -0.657464D+00  0.283814D+01 -0.422729D+00  0.338949D+00
      3  -0.130795D+01 -0.736981D-01 -0.126827D+01  0.164626D+01 -0.587944D-03
                96            97            98            99           100 
      1  -0.788486D+00  0.491514D+01  0.153373D+00  0.915471D+01 -0.292840D+01
      2  -0.463749D+00  0.797316D+00 -0.154490D+01  0.608406D+01 -0.970147D+00
      3   0.176639D+00 -0.431989D+01 -0.205719D+01 -0.312029D+01 -0.502659D+01
               101           102           103           104           105 
      1   0.149901D+01  0.369472D+01  0.182695D+01 -0.944365D+00 -0.179171D+01
      2   0.139210D+01  0.305321D+01  0.980223D+00 -0.691180D+00 -0.153802D+01
      3  -0.145105D+00  0.147527D+01  0.419931D+01  0.487829D+00 -0.929425D+00
               106           107           108           109           110 
      1   0.360926D+01 -0.964523D+00 -0.348333D+01 -0.137241D+01  0.897927D+00
      2   0.113210D+01 -0.151133D+01 -0.294767D+01 -0.190297D+01  0.825052D+00
      3   0.477322D+01  0.573854D+00 -0.195448D+01 -0.130176D+02  0.939006D+01
               111           112           113           114           115 
      1   0.579789D-01  0.840628D+00 -0.696013D+00 -0.167130D+01 -0.336645D+00
      2  -0.224692D+01  0.815051D+00 -0.727328D+00  0.915026D+00 -0.283473D+01
      3   0.462061D+00  0.120095D+02 -0.724253D+01  0.779060D-01  0.867850D+00
               116           117 
      1   0.600540D+00 -0.113508D-01
      2   0.960530D+00  0.237738D+00
      3  -0.818206D+00  0.392144D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.281794D+02 -0.774594D+01  0.965548D+01 -0.285868D+01  0.135655D+02
      2   0.140106D+02  0.113943D+02 -0.549662D+01  0.692071D+01 -0.146717D+02
      3   0.141688D+02 -0.364841D+01 -0.415887D+01 -0.406203D+01  0.110620D+01
      4  -0.919949D+01  0.929526D+01  0.523819D+01  0.121080D+02  0.414239D+01
      5   0.929546D+01  0.137371D+01  0.268717D+00  0.133072D+01  0.614498D+01
      6   0.711279D+01  0.132905D+01  0.210402D+00  0.162241D+01  0.803225D+01
                 6             7             8             9            10 
      1  -0.313318D+01  0.119559D+02 -0.128506D+01  0.450259D+01  0.539238D+01
      2   0.530930D+01 -0.428785D+01  0.520702D+01  0.751610D+01 -0.123889D+01
      3  -0.217612D+01 -0.766806D+01 -0.392196D+01 -0.120187D+02 -0.415349D+01
      4   0.455761D+01  0.711279D+01  0.593015D+01  0.215802D+01 -0.170060D+01
      5   0.112194D+01 -0.393426D+00  0.119183D+01 -0.177866D+02 -0.209385D+01
      6   0.300388D+01 -0.199064D+00  0.102202D+01 -0.121500D+02 -0.273179D+00
                11            12            13            14            15 
      1  -0.446103D+01  0.221816D+00 -0.311065D+00  0.324995D+00 -0.167466D+01
      2   0.449362D+01 -0.738851D-01 -0.536914D+00 -0.672624D+01  0.520332D+00
      3  -0.325851D-01 -0.147930D+00  0.847979D+00  0.640125D+01  0.115432D+01
      4  -0.306787D+01 -0.114348D+01 -0.141184D+02 -0.235010D+00 -0.268680D+01
      5  -0.107746D+01  0.124978D+01 -0.205970D+01 -0.198317D+01 -0.146552D+01
      6  -0.248221D+01  0.698983D+00 -0.226461D+01 -0.207318D+01 -0.461729D+01
                16            17            18            19            20 
      1  -0.602985D+01 -0.230297D+01  0.781773D+01 -0.776128D+01 -0.217434D+01
      2  -0.519750D+00  0.191822D+01  0.937296D+01 -0.908977D-01  0.471714D+01
      3   0.654960D+01  0.384749D+00 -0.171907D+02  0.785218D+01 -0.254279D+01
      4  -0.120063D+01 -0.572874D+01 -0.214077D+01  0.762378D+01 -0.188088D+02
      5  -0.768767D+00 -0.738343D+00  0.107607D+02 -0.154496D+01  0.222667D+01
      6  -0.788044D+00  0.118704D+01  0.197189D+01 -0.261472D+00  0.414255D+00
                21            22            23            24            25 
      1  -0.197447D+01  0.103615D+02 -0.533726D+00 -0.855688D+00  0.134429D+01
      2  -0.136074D+01 -0.492822D+01 -0.805633D+01 -0.193130D+01 -0.206168D+01
      3   0.333521D+01 -0.543329D+01  0.859006D+01  0.278699D+01  0.717389D+00
      4   0.104697D+01 -0.240082D+02  0.126500D+02  0.687613D+00  0.187063D+01
      5  -0.703245D+01  0.289254D+01 -0.439670D+00  0.317888D+01  0.121929D+01
      6   0.776888D+00  0.218922D+00  0.153576D+01 -0.136627D+02 -0.460097D-02
                26            27            28            29            30 
      1   0.543559D+00 -0.610453D+01  0.233245D+02 -0.677800D+01  0.408608D+00
      2   0.739164D+00 -0.519093D+01 -0.929870D+01 -0.213754D+01 -0.281810D+00
      3  -0.128272D+01  0.112955D+02 -0.140258D+02  0.891553D+01 -0.126798D+00
      4   0.421821D+01  0.220324D+01 -0.236189D+02  0.256337D+02 -0.132778D+01
      5   0.842647D+00  0.281298D+01  0.268737D+01 -0.177475D+01  0.108785D+02
      6   0.399950D+01  0.200426D+01 -0.455639D+00  0.379508D+00 -0.602886D+01
                31            32            33            34            35 
      1  -0.103990D+02 -0.601353D+01  0.455607D-01  0.432950D+00  0.230818D+00
      2  -0.741091D+00  0.209021D+02  0.850472D+00  0.356308D+00  0.534502D+00
      3   0.111401D+02 -0.148886D+02 -0.896033D+00 -0.789259D+00 -0.765320D+00
      4   0.278744D+02 -0.359002D+02  0.910965D+00 -0.319860D+00 -0.338394D+00
      5  -0.178522D+01  0.215907D+01 -0.876132D+01  0.119563D+02 -0.939680D+01
      6   0.555172D+00 -0.316381D+00  0.135366D+02 -0.485324D+01  0.104947D+02
                36            37            38            39            40 
      1   0.307574D+00  0.357164D+01  0.921390D+01  0.161175D+01  0.721827D+01
      2  -0.181470D+01 -0.392733D+01 -0.738469D+01  0.198503D+01 -0.452819D+01
      3   0.150712D+01  0.355695D+00 -0.182921D+01 -0.359679D+01 -0.269008D+01
      4  -0.962120D+01  0.117895D+02 -0.415253D+00 -0.294117D+01  0.600799D+01
      5   0.707873D+00  0.317548D+01 -0.274023D+01 -0.561130D+01 -0.207861D+01
      6  -0.665554D+00 -0.385134D+01  0.331841D+01  0.794859D+01  0.319432D+01
                41            42            43            44            45 
      1  -0.115799D+02 -0.159781D+00  0.156062D+01 -0.147511D+01 -0.929814D+01
      2   0.221212D+02 -0.207255D+01  0.292524D+01 -0.239845D+01  0.567475D+01
      3  -0.105413D+02  0.223233D+01 -0.448587D+01  0.387356D+01  0.362339D+01
      4  -0.103561D+02  0.320641D+01 -0.529330D+01  0.399280D+01  0.850345D+01
      5   0.237547D+01  0.109733D+01 -0.641060D+01  0.382157D+01 -0.752997D+01
      6  -0.350116D+01  0.504683D+01  0.104012D+02  0.171751D+01  0.511575D+01
                46            47            48            49            50 
      1   0.217920D+02  0.370497D+01 -0.692168D-01 -0.325753D+01  0.226502D+00
      2  -0.121538D+02  0.270455D+01  0.151905D+01  0.714193D+01  0.743153D+01
      3  -0.963816D+01 -0.640953D+01 -0.144983D+01 -0.388439D+01 -0.765803D+01
      4   0.218926D+02  0.190653D+02 -0.163840D+01  0.143195D+02  0.149125D+02
      5  -0.255199D+01 -0.101567D+01  0.111054D+02  0.197275D+00 -0.134857D+01
      6  -0.133359D+01 -0.762624D+00  0.557652D+01 -0.765378D+00 -0.188718D+01
                51            52            53            54            55 
      1   0.170996D+01  0.334910D+00  0.666050D+00  0.119452D-01  0.661153D+00
      2  -0.271563D+00  0.108856D+01 -0.753732D+00 -0.425811D+01 -0.328781D+01
      3  -0.143840D+01 -0.142347D+01  0.876815D-01  0.424616D+01  0.262666D+01
      4  -0.119759D+01 -0.208179D+01 -0.214972D+01  0.666617D+01  0.559699D+00
      5   0.358413D+01  0.982575D+01  0.609529D+01 -0.439454D+01 -0.193094D+01
      6   0.109960D+02  0.303324D+01  0.774555D+01 -0.311282D+01 -0.597452D+00
                56            57            58            59            60 
      1   0.316920D+00 -0.171618D+01 -0.243353D+00 -0.344606D+01  0.627745D+00
      2   0.626363D-01  0.117499D+01 -0.896759D-01  0.947607D-01  0.188403D+00
      3  -0.379557D+00  0.541190D+00  0.333029D+00  0.335130D+01 -0.816148D+00
      4   0.224033D+01 -0.243017D+00  0.350477D+01  0.333601D+00 -0.133028D+01
      5  -0.266293D+00  0.639138D+01 -0.135015D+00 -0.150679D+01  0.760685D+00
      6   0.685751D+00 -0.150625D+00  0.104243D+00 -0.742657D+00  0.664053D+01
                61            62            63            64            65 
      1   0.182655D+00  0.983631D-01 -0.168821D+02  0.485216D+02  0.427670D+01
      2   0.226566D+01  0.150502D+00 -0.167917D+02 -0.236808D+02  0.700272D+00
      3  -0.244832D+01 -0.248866D+00  0.336738D+02 -0.248409D+02 -0.497697D+01
      4  -0.860964D+00 -0.201885D+01  0.547420D+00  0.222248D+02  0.113869D+02
      5   0.587935D+01  0.468237D-01 -0.131537D+02 -0.638095D+01 -0.836554D+00
      6   0.405584D+00  0.463315D+01 -0.193412D+01 -0.423470D+01 -0.658619D+00
                66            67            68            69            70 
      1  -0.746842D+01 -0.197776D+01  0.308101D+01  0.560931D+00 -0.103467D+02
      2   0.384055D+01  0.295455D+01  0.796163D+00 -0.114067D+01  0.569373D+01
      3   0.362787D+01 -0.976793D+00 -0.387717D+01  0.579736D+00  0.465299D+01
      4  -0.348030D+01  0.711691D+01  0.282379D+01 -0.209727D+01 -0.528488D+01
      5   0.926377D+01 -0.274583D+00 -0.190507D+01 -0.406154D+00  0.890990D+01
      6   0.441630D+01 -0.630394D+00 -0.106149D+01  0.107203D+01  0.352073D+01
                71            72            73            74            75 
      1  -0.109396D+00  0.488858D+01  0.377817D+01  0.138854D+01  0.231394D+01
      2  -0.154851D+01 -0.505934D+01 -0.381972D+01 -0.160236D+01 -0.122262D+01
      3   0.165790D+01  0.170756D+00  0.415502D-01  0.213815D+00 -0.109132D+01
      4  -0.422257D+01  0.287035D+01  0.193561D+01  0.286742D+00  0.148831D+01
      5   0.113427D+01 -0.390012D+01  0.175375D+01  0.354035D+00  0.497175D+01
      6   0.180320D+01 -0.105447D+01  0.113215D+01 -0.337357D+00  0.538715D+00
                76            77            78            79            80 
      1  -0.326467D+00 -0.375326D+01 -0.131228D+01  0.351751D+01 -0.267312D+01
      2   0.138421D+00  0.213284D+01  0.256158D+01 -0.315024D+01  0.279770D+01
      3   0.188046D+00  0.162041D+01 -0.124930D+01 -0.367266D+00 -0.124581D+00
      4   0.456086D+00  0.205439D+00  0.243401D+01  0.383408D+01  0.545707D+01
      5  -0.789130D+00  0.194279D+01 -0.519637D+00  0.778078D+01  0.238641D+01
      6   0.395448D+00  0.111878D+01  0.498526D+01  0.207732D+01  0.715682D+01
                81            82            83            84            85 
      1  -0.117031D+02 -0.112043D+01  0.720231D+01 -0.185161D+01  0.669632D+01
      2  -0.131150D+02  0.325524D+01 -0.101377D+02  0.181251D+01 -0.637566D+01
      3   0.248181D+02 -0.213481D+01  0.293540D+01  0.390993D-01 -0.320658D+00
      4   0.161613D+01 -0.172384D+01  0.159373D-01 -0.124283D+01  0.477352D+01
      5   0.234610D+02 -0.133424D+01  0.375981D+00 -0.540062D+00  0.916901D+00
      6   0.183665D+02 -0.152491D+01  0.717528D+00 -0.262943D+01  0.331044D+00
                86            87            88            89            90 
      1  -0.222876D+02  0.302222D+01 -0.257074D+01  0.383021D+01 -0.466184D+01
      2   0.374601D+02 -0.495286D+01  0.138923D+01 -0.585631D+01  0.312961D+01
      3  -0.151725D+02  0.193064D+01  0.118151D+01  0.202610D+01  0.153223D+01
      4   0.137726D+02 -0.179257D+01 -0.224676D+01 -0.317169D+01  0.113102D+01
      5  -0.331437D+01  0.353524D+01  0.907816D+00  0.211352D+01  0.304592D+00
      6  -0.362469D+01  0.702679D+01 -0.112231D+01  0.694460D+01 -0.242604D+01
                91            92            93            94            95 
      1   0.524303D+01 -0.204704D+01  0.298447D+01 -0.226996D+01 -0.145314D+01
      2  -0.312434D+01  0.213635D+00 -0.254669D+01  0.874534D+00  0.176516D+01
      3  -0.211869D+01  0.183340D+01 -0.437784D+00  0.139543D+01 -0.312019D+00
      4  -0.632873D+01  0.516473D+01 -0.396870D+01  0.357878D+01 -0.176071D+01
      5   0.615385D+01 -0.231059D+01  0.864063D+01 -0.929937D+00  0.186649D+01
      6  -0.345229D+01  0.213270D+01 -0.573815D+01  0.181565D+01 -0.932850D+00
                96            97            98            99           100 
      1  -0.142553D+00  0.652248D+01  0.866318D+00  0.119012D+01  0.134097D+02
      2  -0.751950D+00 -0.621824D+01 -0.136569D+01 -0.810985D+01 -0.374260D+01
      3   0.894503D+00 -0.304236D+00  0.499375D+00  0.691973D+01 -0.966707D+01
      4   0.246750D+01 -0.703649D+01  0.614172D+01 -0.684190D+01 -0.175329D+02
      5  -0.966853D+00  0.100747D+02 -0.408970D+01  0.169043D+02 -0.887388D+01
      6   0.330856D+01 -0.688833D+01  0.469401D+01 -0.139718D+02  0.688149D+01
               101           102           103           104           105 
      1  -0.509161D+01 -0.430289D+01 -0.590815D+01  0.420866D+00  0.131606D+01
      2  -0.153717D+01  0.892827D+00  0.693180D-01  0.445186D+01  0.117787D+01
      3   0.662878D+01  0.341006D+01  0.583884D+01 -0.487272D+01 -0.249393D+01
      4   0.142388D+02  0.700610D+01  0.120877D+02 -0.870396D+01 -0.499646D+01
      5   0.528454D+01  0.861598D+01  0.354790D+01 -0.400311D+01 -0.302623D+01
      6  -0.507598D+01 -0.624163D+01 -0.470695D+01  0.406374D+01  0.463095D+01
               106           107           108           109           110 
      1  -0.714936D+01  0.131628D+01  0.243437D+01 -0.927928D+01  0.791692D+00
      2   0.316174D+01  0.132015D+01 -0.251960D+01  0.742215D+01 -0.785278D+00
      3   0.398762D+01 -0.263643D+01  0.852287D-01  0.185714D+01 -0.641359D-02
      4   0.107564D+02 -0.836021D+01 -0.807517D+01 -0.697381D+01 -0.364316D+01
      5   0.957043D+01 -0.567127D+01 -0.878653D+01  0.120728D+01 -0.170093D+00
      6  -0.748540D+01  0.668517D+01  0.778566D+01  0.858144D+00  0.339599D+00
               111           112           113           114           115 
      1  -0.396796D+00  0.397738D+01 -0.948006D+01  0.380129D+00  0.537098D+00
      2   0.491542D-01 -0.230264D+01  0.141553D+02 -0.256000D+00 -0.350963D+00
      3   0.347642D+00 -0.167474D+01 -0.467525D+01 -0.124128D+00 -0.186134D+00
      4   0.629410D+00  0.581413D+01  0.706340D+01 -0.600765D+00  0.750742D+00
      5  -0.338369D+01 -0.833144D+00  0.119402D-01  0.186749D+01  0.963895D+00
      6   0.622297D+00 -0.307496D+00 -0.118763D+01  0.285096D+01  0.850720D+00
               116           117 
      1   0.678530D+00 -0.238218D+01
      2  -0.360099D+00  0.128691D+01
      3  -0.318431D+00  0.109527D+01
      4   0.250226D+00  0.983233D+00
      5   0.121156D+01  0.162385D+00
      6   0.330925D+01 -0.505942D+00
 Leave Link  716 at Mon Aug 16 21:26:14 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.595154D+02 -0.105219D+01 -0.437626D+00
      2  -0.105219D+01  0.613926D+02 -0.576699D+00
      3  -0.437626D+00 -0.576699D+00  0.448184D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.570470D+00  0.216543D+01  0.552464D+01
      2  -0.310777D+01 -0.172945D+01 -0.185694D+02
      3   0.290121D+01  0.104683D+02  0.126459D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.421451D+02 -0.366683D+00 -0.100693D+01
      2   0.256929D+02 -0.783004D+01  0.134737D+01
      3   0.164522D+02  0.819672D+01 -0.340450D+00
      4  -0.113055D+02 -0.203343D+02 -0.566569D+01
      5  -0.132650D+01 -0.674107D+01 -0.410689D+02
      6  -0.423792D+01 -0.221123D+01 -0.641414D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.503029D+01 -0.447741D+00 -0.218709D+01 -0.138132D+01 -0.309239D+01
      2  -0.447741D+00 -0.401541D+01 -0.115059D+00 -0.309239D+01  0.246108D+01
      3  -0.218709D+01 -0.115059D+00  0.151853D+00 -0.211018D+00 -0.182754D+01
                 6             7             8             9            10 
      1  -0.211018D+00 -0.265581D+01 -0.563069D+00  0.427159D+00 -0.382188D+01
      2  -0.182754D+01 -0.563069D+00 -0.218332D+01 -0.325718D-01  0.951076D+00
      3  -0.156108D+00  0.427159D+00 -0.325718D-01  0.663768D+01  0.537172D+00
                11            12            13            14            15 
      1   0.951076D+00  0.537172D+00  0.113680D+01  0.254460D+01  0.340521D+00
      2   0.362461D+01  0.371161D+00  0.254460D+01 -0.147423D+01  0.974977D+00
      3   0.371161D+00  0.739273D-01  0.340521D+00  0.974977D+00  0.569626D+00
                16            17            18            19            20 
      1   0.492946D+00  0.837264D+00  0.297456D+00  0.233343D+01  0.745076D+00
      2   0.837264D+00  0.176050D+01  0.229912D+00  0.745076D+00 -0.345813D+01
      3   0.297456D+00  0.229912D+00 -0.658236D+01  0.274179D-01  0.225711D+00
                21            22            23            24            25 
      1   0.274179D-01  0.219908D+01 -0.393196D+01  0.142521D+00 -0.613882D+00
      2   0.225711D+00 -0.393196D+01  0.342957D+01 -0.402691D-01  0.428925D+00
      3   0.101387D+00  0.142521D+00 -0.402691D-01  0.363879D+00  0.199805D-01
                26            27            28            29            30 
      1   0.428925D+00  0.199805D-01  0.542669D+01 -0.418008D+01  0.201475D+00
      2  -0.357296D+00  0.263730D+00 -0.418008D+01  0.413731D+01 -0.311085D+00
      3   0.263730D+00  0.541235D+00  0.201475D+00 -0.311085D+00  0.100772D+01
                31            32            33            34            35 
      1  -0.471146D+01  0.380332D+01  0.265680D-01  0.348409D+00 -0.181566D-01
      2   0.380332D+01 -0.102599D+02  0.174159D+00 -0.181566D-01  0.411332D-01
      3   0.265680D-01  0.174159D+00 -0.216911D+01  0.197668D+01 -0.278840D+01
                36            37            38            39            40 
      1   0.197668D+01  0.291440D+01 -0.139886D+01 -0.745801D+00 -0.104731D+01
      2  -0.278840D+01 -0.139886D+01 -0.316982D+00  0.303815D+00 -0.690525D+00
      3   0.161704D+00 -0.745801D+00  0.303815D+00  0.264387D+01  0.388019D+00
                41            42            43            44            45 
      1  -0.690525D+00  0.388019D+00 -0.978873D+00  0.566188D+00  0.275826D+01
      2   0.512548D+01 -0.787847D+00  0.566188D+00 -0.944419D+00 -0.250321D+00
      3  -0.787847D+00 -0.172224D+00  0.275826D+01 -0.250321D+00  0.279503D+01
                46            47            48            49            50 
      1   0.701148D+01  0.172399D+01 -0.670877D+00 -0.177030D+01  0.354140D+01
      2   0.172399D+01  0.350485D+01 -0.332669D+00  0.354140D+01  0.249258D+01
      3  -0.670877D+00 -0.332669D+00  0.928685D+00 -0.838856D-02 -0.337112D+00
                51            52            53            54            55 
      1  -0.838856D-02 -0.758743D+00 -0.463624D+00  0.126863D+01  0.205322D+00
      2  -0.337112D+00 -0.463624D+00 -0.392261D+00  0.175889D+01 -0.173726D+00
      3   0.888131D+00  0.126863D+01  0.175889D+01 -0.113413D+01  0.978843D+00
                56            57            58            59            60 
      1  -0.173726D+00  0.978843D+00 -0.467934D+00 -0.685866D+00  0.226248D-01
      2  -0.681321D+00 -0.407377D-01 -0.685866D+00  0.795821D-01  0.108085D+01
      3  -0.407377D-01 -0.437646D+00  0.226248D-01  0.108085D+01 -0.437915D+00
                61            62            63            64            65 
      1   0.175196D+01 -0.924679D-01 -0.607274D+00 -0.901749D+01 -0.135796D+01
      2  -0.924679D-01  0.147965D+01 -0.350373D-01 -0.135796D+01 -0.142416D+01
      3  -0.607274D+00 -0.350373D-01  0.858493D+01  0.140890D+01  0.108110D+00
                66            67            68            69            70 
      1   0.140890D+01  0.155430D+00 -0.811663D+00  0.123095D+00  0.226260D+01
      2   0.108110D+00 -0.811663D+00 -0.578081D+00  0.476366D+00  0.370242D+00
      3  -0.160110D+01  0.123095D+00  0.476366D+00  0.834238D-01 -0.139256D+01
                71            72            73            74            75 
      1   0.370242D+00 -0.139256D+01 -0.706759D+00 -0.114617D+00 -0.689039D+00
      2   0.966309D+00 -0.215153D+00 -0.114617D+00  0.505754D+00  0.461153D-01
      3  -0.215153D+00  0.371680D+00 -0.689039D+00  0.461153D-01  0.471553D-01
                76            77            78            79            80 
      1   0.324320D+00  0.189631D+00  0.136060D+00 -0.145250D+01 -0.359637D+00
      2   0.189631D+00 -0.394870D+00 -0.767412D+00 -0.359637D+00 -0.178060D+01
      3   0.136060D+00 -0.767412D+00  0.267163D+00 -0.961485D+00 -0.901285D+00
                81            82            83            84            85 
      1  -0.961485D+00  0.819143D+00 -0.643259D+00  0.489947D+00 -0.147281D+01
      2  -0.901285D+00 -0.643259D+00  0.229575D+01 -0.108902D+00  0.889714D+00
      3  -0.821863D+01  0.489947D+00 -0.108902D+00  0.635135D+00 -0.192266D+00
                86            87            88            89            90 
      1   0.889714D+00 -0.192266D+00  0.773877D+00  0.643842D-01  0.170190D+00
      2  -0.787352D+01  0.977515D+00  0.643842D-01  0.157093D+01 -0.113021D+01
      3   0.977515D+00 -0.138741D+01  0.170190D+00 -0.113021D+01  0.121969D+00
                91            92            93            94            95 
      1  -0.158717D+01  0.100965D+01 -0.130027D+01  0.714678D+00 -0.232498D+00
      2   0.100965D+01 -0.722058D+00  0.607057D+00 -0.232498D+00  0.615436D+00
      3  -0.130027D+01  0.607057D+00 -0.184508D+01  0.273858D+00 -0.410098D+00
                96            97            98            99           100 
      1   0.273858D+00 -0.271229D+01  0.671952D+00 -0.237758D+01 -0.445202D+01
      2  -0.410098D+00  0.671952D+00 -0.193046D+01  0.109075D+01  0.255696D+01
      3   0.206472D+00 -0.237758D+01  0.109075D+01 -0.518609D+01  0.158965D+01
               101           102           103           104           105 
      1   0.255696D+01  0.158965D+01  0.271857D+01 -0.148981D+01 -0.870732D+00
      2  -0.231580D+01 -0.993096D+00 -0.148981D+01  0.194156D+01  0.736481D+00
      3  -0.993096D+00 -0.173712D+01 -0.870732D+00  0.736481D+00  0.955608D+00
               106           107           108           109           110 
      1   0.319225D+01 -0.141778D+01 -0.194113D+01 -0.415545D+01  0.132949D+01
      2  -0.141778D+01  0.185422D+01  0.131162D+01  0.132949D+01 -0.113442D+01
      3  -0.194113D+01  0.131162D+01  0.215820D+01  0.359676D+00  0.239579D+00
               111           112           113           114           115 
      1   0.359676D+00  0.360225D+01 -0.339392D-01 -0.170863D+00  0.350049D+00
      2   0.239579D+00 -0.339392D-01  0.443532D+01 -0.250067D+00 -0.242198D-01
      3   0.312228D-01 -0.170863D+00 -0.250067D+00  0.988460D+00  0.361681D+00
               116           117 
      1  -0.242198D-01  0.361681D+00
      2  -0.843780D-01  0.698068D+00
      3   0.698068D+00 -0.251219D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.410297D+01  0.118368D-01 -0.404289D+00 -0.656070D+00 -0.648100D+01
      2   0.602795D+01  0.146989D+01  0.135233D+01  0.159696D+01  0.247278D+01
      3  -0.766762D+01 -0.889331D+01  0.294655D+01 -0.907797D+00  0.118976D+02
                 6             7             8             9            10 
      1  -0.271948D+01  0.107745D+01  0.229503D+01  0.841068D+01  0.100367D+01
      2   0.583491D+00 -0.348452D+01 -0.131818D+00 -0.931211D+01  0.107088D+01
      3  -0.289204D+01  0.324231D+01 -0.291453D+01 -0.836205D+00  0.363878D+01
                11            12            13            14            15 
      1   0.823817D+00 -0.173664D+00  0.157434D+01  0.556028D+00  0.534861D+00
      2   0.139356D+01  0.333953D+01 -0.106193D+01 -0.317844D+01 -0.948527D+00
      3  -0.268573D+01 -0.116554D+01  0.110724D+01 -0.279906D+01  0.131582D+01
                16            17            18            19            20 
      1   0.758272D-01  0.515494D+01 -0.858562D+00  0.136465D+00  0.113229D+01
      2  -0.312078D+01 -0.516245D+00  0.202218D+01 -0.483836D+01 -0.175620D+01
      3   0.527680D+00  0.254396D+01 -0.375569D+00  0.349139D+01  0.254329D+01
                21            22            23            24            25 
      1  -0.122294D+01  0.202039D+01  0.107125D+01  0.816827D+01  0.220025D+01
      2  -0.596528D+01 -0.162020D+01  0.113275D+01  0.259722D+01 -0.170939D+02
      3   0.685490D+00  0.165512D+01 -0.644810D+01 -0.164982D+01 -0.166702D+00
                26            27            28            29            30 
      1   0.988580D+01 -0.214399D+01 -0.372483D+00  0.358179D+00  0.420805D+01
      2  -0.780928D+00  0.334984D+01 -0.139417D+00  0.969876D-01  0.684337D+01
      3  -0.285590D+01 -0.681445D+00 -0.220493D+01 -0.824494D+01  0.205431D+00
                31            32            33            34            35 
      1  -0.235521D+00 -0.724054D+00 -0.866647D+01 -0.557865D+00  0.154599D+01
      2   0.168374D+01 -0.345259D+00 -0.463590D+01  0.273331D+01 -0.210943D+01
      3   0.683131D+01  0.136203D+02  0.242504D+00  0.680215D+00  0.570744D+00
                36            37            38            39            40 
      1   0.326649D+00  0.198444D+01 -0.160939D+01 -0.523863D+01 -0.252546D+01
      2  -0.908370D+00  0.179688D+01 -0.212428D+01  0.723002D+00 -0.126863D+01
      3   0.311949D+01  0.447340D+01 -0.956560D+01 -0.220120D+00  0.221333D+01
                41            42            43            44            45 
      1   0.284258D+01 -0.427924D+01 -0.675896D+01  0.507221D+01 -0.428852D+01
      2   0.163433D+01  0.828040D+00 -0.696320D+01  0.151219D+01 -0.230242D+01
      3   0.260939D+01  0.224190D+00 -0.140502D+01  0.380316D+00  0.526014D+01
                46            47            48            49            50 
      1   0.127908D+01 -0.117683D+01 -0.351819D+01 -0.761021D+00  0.484595D+00
      2   0.176664D+01 -0.399637D+00  0.605174D+01 -0.684140D+00 -0.252690D+00
      3   0.127575D+02 -0.125962D+02 -0.401099D+00 -0.707364D+01  0.156119D+01
                51            52            53            54            55 
      1  -0.522563D+01 -0.232552D+01  0.133840D+01  0.148408D+01  0.688679D-01
      2   0.111063D+01  0.332912D+01  0.223346D+01 -0.223688D+01 -0.135174D+00
      3   0.611883D+00 -0.138444D+01  0.184682D+01 -0.147279D+01 -0.645474D+00
                56            57            58            59            60 
      1  -0.741485D+00 -0.273942D+00 -0.793526D+00  0.253778D+00 -0.557283D+00
      2  -0.200855D+00  0.331387D+00  0.194900D+00  0.177453D+00  0.535265D+00
      3  -0.123474D+01  0.113265D+00  0.769496D+00  0.478749D+00  0.747684D+00
                61            62            63            64            65 
      1  -0.533395D+00  0.300921D+01  0.100962D+01  0.162272D+01 -0.237236D-01
      2  -0.255203D+01  0.312965D+00 -0.493100D+01 -0.359552D+01 -0.144607D+00
      3  -0.354227D+00  0.876729D+00  0.147587D+00  0.982811D+01 -0.351320D+01
                66            67            68            69            70 
      1  -0.224181D+01  0.215836D+00  0.647565D+00 -0.565679D+00 -0.147088D+01
      2   0.555193D+01 -0.306161D+00 -0.725344D+00 -0.312631D+00  0.147164D+01
      3  -0.201807D+01 -0.958516D-02  0.207361D-01  0.697103D+00 -0.224912D+01
                71            72            73            74            75 
      1   0.731862D+00  0.452197D+00 -0.733290D+00 -0.283994D+00 -0.215227D+00
      2   0.116826D+00 -0.125088D+01  0.825846D+00 -0.685193D-01  0.743633D+00
      3   0.185036D+01  0.135780D+01  0.630589D+00  0.144086D+00  0.826627D+00
                76            77            78            79            80 
      1  -0.937989D-01 -0.112263D+01 -0.540392D+00 -0.914039D+00  0.257238D+01
      2  -0.697228D-01  0.107542D+01 -0.190519D+00 -0.195586D+01  0.911835D+00
      3   0.782066D+00 -0.872482D+00 -0.987759D+00  0.164345D+01 -0.244503D+01
                81            82            83            84            85 
      1  -0.109107D+02  0.114842D+01 -0.488605D+00  0.170614D+01 -0.758895D+00
      2   0.124429D+02 -0.732939D+00 -0.114385D+00 -0.207011D+00  0.162637D+00
      3   0.313024D-01 -0.442367D+01  0.417842D+01 -0.135317D+01  0.653557D+01
                86            87            88            89            90 
      1   0.304427D+01 -0.430653D+01  0.493453D+00 -0.698530D+00  0.570050D+00
      2  -0.911443D+00  0.151967D+01 -0.121667D+01  0.107303D+01 -0.283699D-01
      3  -0.138392D+02  0.214626D+01 -0.185533D+01  0.244807D+01 -0.186768D+01
                91            92            93            94            95 
      1   0.226589D+01 -0.399030D+00  0.362180D+01 -0.434691D+00  0.135637D+01
      2   0.607172D+00 -0.657464D+00  0.283814D+01 -0.422729D+00  0.338949D+00
      3  -0.130795D+01 -0.736981D-01 -0.126827D+01  0.164626D+01 -0.587944D-03
                96            97            98            99           100 
      1  -0.788486D+00  0.491514D+01  0.153373D+00  0.915471D+01 -0.292840D+01
      2  -0.463749D+00  0.797316D+00 -0.154490D+01  0.608406D+01 -0.970147D+00
      3   0.176639D+00 -0.431989D+01 -0.205719D+01 -0.312029D+01 -0.502659D+01
               101           102           103           104           105 
      1   0.149901D+01  0.369472D+01  0.182695D+01 -0.944365D+00 -0.179171D+01
      2   0.139210D+01  0.305321D+01  0.980223D+00 -0.691180D+00 -0.153802D+01
      3  -0.145105D+00  0.147527D+01  0.419931D+01  0.487829D+00 -0.929425D+00
               106           107           108           109           110 
      1   0.360926D+01 -0.964523D+00 -0.348333D+01 -0.137241D+01  0.897927D+00
      2   0.113210D+01 -0.151133D+01 -0.294767D+01 -0.190297D+01  0.825052D+00
      3   0.477322D+01  0.573854D+00 -0.195448D+01 -0.130176D+02  0.939006D+01
               111           112           113           114           115 
      1   0.579789D-01  0.840628D+00 -0.696013D+00 -0.167130D+01 -0.336645D+00
      2  -0.224692D+01  0.815051D+00 -0.727328D+00  0.915026D+00 -0.283473D+01
      3   0.462061D+00  0.120095D+02 -0.724253D+01  0.779060D-01  0.867850D+00
               116           117 
      1   0.600540D+00 -0.113508D-01
      2   0.960530D+00  0.237738D+00
      3  -0.818206D+00  0.392144D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.281794D+02 -0.774594D+01  0.965548D+01 -0.285868D+01  0.135655D+02
      2   0.140106D+02  0.113943D+02 -0.549662D+01  0.692071D+01 -0.146717D+02
      3   0.141688D+02 -0.364841D+01 -0.415887D+01 -0.406203D+01  0.110620D+01
      4  -0.919949D+01  0.929526D+01  0.523819D+01  0.121080D+02  0.414239D+01
      5   0.929546D+01  0.137371D+01  0.268717D+00  0.133072D+01  0.614498D+01
      6   0.711279D+01  0.132905D+01  0.210402D+00  0.162241D+01  0.803225D+01
                 6             7             8             9            10 
      1  -0.313318D+01  0.119559D+02 -0.128506D+01  0.450259D+01  0.539238D+01
      2   0.530930D+01 -0.428785D+01  0.520702D+01  0.751610D+01 -0.123889D+01
      3  -0.217612D+01 -0.766806D+01 -0.392196D+01 -0.120187D+02 -0.415349D+01
      4   0.455761D+01  0.711279D+01  0.593015D+01  0.215802D+01 -0.170060D+01
      5   0.112194D+01 -0.393426D+00  0.119183D+01 -0.177866D+02 -0.209385D+01
      6   0.300388D+01 -0.199064D+00  0.102202D+01 -0.121500D+02 -0.273179D+00
                11            12            13            14            15 
      1  -0.446103D+01  0.221816D+00 -0.311065D+00  0.324995D+00 -0.167466D+01
      2   0.449362D+01 -0.738851D-01 -0.536914D+00 -0.672624D+01  0.520332D+00
      3  -0.325851D-01 -0.147930D+00  0.847979D+00  0.640125D+01  0.115432D+01
      4  -0.306787D+01 -0.114348D+01 -0.141184D+02 -0.235010D+00 -0.268680D+01
      5  -0.107746D+01  0.124978D+01 -0.205970D+01 -0.198317D+01 -0.146552D+01
      6  -0.248221D+01  0.698983D+00 -0.226461D+01 -0.207318D+01 -0.461729D+01
                16            17            18            19            20 
      1  -0.602985D+01 -0.230297D+01  0.781773D+01 -0.776128D+01 -0.217434D+01
      2  -0.519750D+00  0.191822D+01  0.937296D+01 -0.908977D-01  0.471714D+01
      3   0.654960D+01  0.384749D+00 -0.171907D+02  0.785218D+01 -0.254279D+01
      4  -0.120063D+01 -0.572874D+01 -0.214077D+01  0.762378D+01 -0.188088D+02
      5  -0.768767D+00 -0.738343D+00  0.107607D+02 -0.154496D+01  0.222667D+01
      6  -0.788044D+00  0.118704D+01  0.197189D+01 -0.261472D+00  0.414255D+00
                21            22            23            24            25 
      1  -0.197447D+01  0.103615D+02 -0.533726D+00 -0.855688D+00  0.134429D+01
      2  -0.136074D+01 -0.492822D+01 -0.805633D+01 -0.193130D+01 -0.206168D+01
      3   0.333521D+01 -0.543329D+01  0.859006D+01  0.278699D+01  0.717389D+00
      4   0.104697D+01 -0.240082D+02  0.126500D+02  0.687613D+00  0.187063D+01
      5  -0.703245D+01  0.289254D+01 -0.439670D+00  0.317888D+01  0.121929D+01
      6   0.776888D+00  0.218922D+00  0.153576D+01 -0.136627D+02 -0.460097D-02
                26            27            28            29            30 
      1   0.543559D+00 -0.610453D+01  0.233245D+02 -0.677800D+01  0.408608D+00
      2   0.739164D+00 -0.519093D+01 -0.929870D+01 -0.213754D+01 -0.281810D+00
      3  -0.128272D+01  0.112955D+02 -0.140258D+02  0.891553D+01 -0.126798D+00
      4   0.421821D+01  0.220324D+01 -0.236189D+02  0.256337D+02 -0.132778D+01
      5   0.842647D+00  0.281298D+01  0.268737D+01 -0.177475D+01  0.108785D+02
      6   0.399950D+01  0.200426D+01 -0.455639D+00  0.379508D+00 -0.602886D+01
                31            32            33            34            35 
      1  -0.103990D+02 -0.601353D+01  0.455607D-01  0.432950D+00  0.230818D+00
      2  -0.741091D+00  0.209021D+02  0.850472D+00  0.356308D+00  0.534502D+00
      3   0.111401D+02 -0.148886D+02 -0.896033D+00 -0.789259D+00 -0.765320D+00
      4   0.278744D+02 -0.359002D+02  0.910965D+00 -0.319860D+00 -0.338394D+00
      5  -0.178522D+01  0.215907D+01 -0.876132D+01  0.119563D+02 -0.939680D+01
      6   0.555172D+00 -0.316381D+00  0.135366D+02 -0.485324D+01  0.104947D+02
                36            37            38            39            40 
      1   0.307574D+00  0.357164D+01  0.921390D+01  0.161175D+01  0.721827D+01
      2  -0.181470D+01 -0.392733D+01 -0.738469D+01  0.198503D+01 -0.452819D+01
      3   0.150712D+01  0.355695D+00 -0.182921D+01 -0.359679D+01 -0.269008D+01
      4  -0.962120D+01  0.117895D+02 -0.415253D+00 -0.294117D+01  0.600799D+01
      5   0.707873D+00  0.317548D+01 -0.274023D+01 -0.561130D+01 -0.207861D+01
      6  -0.665554D+00 -0.385134D+01  0.331841D+01  0.794859D+01  0.319432D+01
                41            42            43            44            45 
      1  -0.115799D+02 -0.159781D+00  0.156062D+01 -0.147511D+01 -0.929814D+01
      2   0.221212D+02 -0.207255D+01  0.292524D+01 -0.239845D+01  0.567475D+01
      3  -0.105413D+02  0.223233D+01 -0.448587D+01  0.387356D+01  0.362339D+01
      4  -0.103561D+02  0.320641D+01 -0.529330D+01  0.399280D+01  0.850345D+01
      5   0.237547D+01  0.109733D+01 -0.641060D+01  0.382157D+01 -0.752997D+01
      6  -0.350116D+01  0.504683D+01  0.104012D+02  0.171751D+01  0.511575D+01
                46            47            48            49            50 
      1   0.217920D+02  0.370497D+01 -0.692168D-01 -0.325753D+01  0.226502D+00
      2  -0.121538D+02  0.270455D+01  0.151905D+01  0.714193D+01  0.743153D+01
      3  -0.963816D+01 -0.640953D+01 -0.144983D+01 -0.388439D+01 -0.765803D+01
      4   0.218926D+02  0.190653D+02 -0.163840D+01  0.143195D+02  0.149125D+02
      5  -0.255199D+01 -0.101567D+01  0.111054D+02  0.197275D+00 -0.134857D+01
      6  -0.133359D+01 -0.762624D+00  0.557652D+01 -0.765378D+00 -0.188718D+01
                51            52            53            54            55 
      1   0.170996D+01  0.334910D+00  0.666050D+00  0.119452D-01  0.661153D+00
      2  -0.271563D+00  0.108856D+01 -0.753732D+00 -0.425811D+01 -0.328781D+01
      3  -0.143840D+01 -0.142347D+01  0.876815D-01  0.424616D+01  0.262666D+01
      4  -0.119759D+01 -0.208179D+01 -0.214972D+01  0.666617D+01  0.559699D+00
      5   0.358413D+01  0.982575D+01  0.609529D+01 -0.439454D+01 -0.193094D+01
      6   0.109960D+02  0.303324D+01  0.774555D+01 -0.311282D+01 -0.597452D+00
                56            57            58            59            60 
      1   0.316920D+00 -0.171618D+01 -0.243353D+00 -0.344606D+01  0.627745D+00
      2   0.626363D-01  0.117499D+01 -0.896759D-01  0.947607D-01  0.188403D+00
      3  -0.379557D+00  0.541190D+00  0.333029D+00  0.335130D+01 -0.816148D+00
      4   0.224033D+01 -0.243017D+00  0.350477D+01  0.333601D+00 -0.133028D+01
      5  -0.266293D+00  0.639138D+01 -0.135015D+00 -0.150679D+01  0.760685D+00
      6   0.685751D+00 -0.150625D+00  0.104243D+00 -0.742657D+00  0.664053D+01
                61            62            63            64            65 
      1   0.182655D+00  0.983631D-01 -0.168821D+02  0.485216D+02  0.427670D+01
      2   0.226566D+01  0.150502D+00 -0.167917D+02 -0.236808D+02  0.700272D+00
      3  -0.244832D+01 -0.248866D+00  0.336738D+02 -0.248409D+02 -0.497697D+01
      4  -0.860964D+00 -0.201885D+01  0.547420D+00  0.222248D+02  0.113869D+02
      5   0.587935D+01  0.468237D-01 -0.131537D+02 -0.638095D+01 -0.836554D+00
      6   0.405584D+00  0.463315D+01 -0.193412D+01 -0.423470D+01 -0.658619D+00
                66            67            68            69            70 
      1  -0.746842D+01 -0.197776D+01  0.308101D+01  0.560931D+00 -0.103467D+02
      2   0.384055D+01  0.295455D+01  0.796163D+00 -0.114067D+01  0.569373D+01
      3   0.362787D+01 -0.976793D+00 -0.387717D+01  0.579736D+00  0.465299D+01
      4  -0.348030D+01  0.711691D+01  0.282379D+01 -0.209727D+01 -0.528488D+01
      5   0.926377D+01 -0.274583D+00 -0.190507D+01 -0.406154D+00  0.890990D+01
      6   0.441630D+01 -0.630394D+00 -0.106149D+01  0.107203D+01  0.352073D+01
                71            72            73            74            75 
      1  -0.109396D+00  0.488858D+01  0.377817D+01  0.138854D+01  0.231394D+01
      2  -0.154851D+01 -0.505934D+01 -0.381972D+01 -0.160236D+01 -0.122262D+01
      3   0.165790D+01  0.170756D+00  0.415502D-01  0.213815D+00 -0.109132D+01
      4  -0.422257D+01  0.287035D+01  0.193561D+01  0.286742D+00  0.148831D+01
      5   0.113427D+01 -0.390012D+01  0.175375D+01  0.354035D+00  0.497175D+01
      6   0.180320D+01 -0.105447D+01  0.113215D+01 -0.337357D+00  0.538715D+00
                76            77            78            79            80 
      1  -0.326467D+00 -0.375326D+01 -0.131228D+01  0.351751D+01 -0.267312D+01
      2   0.138421D+00  0.213284D+01  0.256158D+01 -0.315024D+01  0.279770D+01
      3   0.188046D+00  0.162041D+01 -0.124930D+01 -0.367266D+00 -0.124581D+00
      4   0.456086D+00  0.205439D+00  0.243401D+01  0.383408D+01  0.545707D+01
      5  -0.789130D+00  0.194279D+01 -0.519637D+00  0.778078D+01  0.238641D+01
      6   0.395448D+00  0.111878D+01  0.498526D+01  0.207732D+01  0.715682D+01
                81            82            83            84            85 
      1  -0.117031D+02 -0.112043D+01  0.720231D+01 -0.185161D+01  0.669632D+01
      2  -0.131150D+02  0.325524D+01 -0.101377D+02  0.181251D+01 -0.637566D+01
      3   0.248181D+02 -0.213481D+01  0.293540D+01  0.390993D-01 -0.320658D+00
      4   0.161613D+01 -0.172384D+01  0.159373D-01 -0.124283D+01  0.477352D+01
      5   0.234610D+02 -0.133424D+01  0.375981D+00 -0.540062D+00  0.916901D+00
      6   0.183665D+02 -0.152491D+01  0.717528D+00 -0.262943D+01  0.331044D+00
                86            87            88            89            90 
      1  -0.222876D+02  0.302222D+01 -0.257074D+01  0.383021D+01 -0.466184D+01
      2   0.374601D+02 -0.495286D+01  0.138923D+01 -0.585631D+01  0.312961D+01
      3  -0.151725D+02  0.193064D+01  0.118151D+01  0.202610D+01  0.153223D+01
      4   0.137726D+02 -0.179257D+01 -0.224676D+01 -0.317169D+01  0.113102D+01
      5  -0.331437D+01  0.353524D+01  0.907816D+00  0.211352D+01  0.304592D+00
      6  -0.362469D+01  0.702679D+01 -0.112231D+01  0.694460D+01 -0.242604D+01
                91            92            93            94            95 
      1   0.524303D+01 -0.204704D+01  0.298447D+01 -0.226996D+01 -0.145314D+01
      2  -0.312434D+01  0.213635D+00 -0.254669D+01  0.874534D+00  0.176516D+01
      3  -0.211869D+01  0.183340D+01 -0.437784D+00  0.139543D+01 -0.312019D+00
      4  -0.632873D+01  0.516473D+01 -0.396870D+01  0.357878D+01 -0.176071D+01
      5   0.615385D+01 -0.231059D+01  0.864063D+01 -0.929937D+00  0.186649D+01
      6  -0.345229D+01  0.213270D+01 -0.573815D+01  0.181565D+01 -0.932850D+00
                96            97            98            99           100 
      1  -0.142553D+00  0.652248D+01  0.866318D+00  0.119012D+01  0.134097D+02
      2  -0.751950D+00 -0.621824D+01 -0.136569D+01 -0.810985D+01 -0.374260D+01
      3   0.894503D+00 -0.304236D+00  0.499375D+00  0.691973D+01 -0.966707D+01
      4   0.246750D+01 -0.703649D+01  0.614172D+01 -0.684190D+01 -0.175329D+02
      5  -0.966853D+00  0.100747D+02 -0.408970D+01  0.169043D+02 -0.887388D+01
      6   0.330856D+01 -0.688833D+01  0.469401D+01 -0.139718D+02  0.688149D+01
               101           102           103           104           105 
      1  -0.509161D+01 -0.430289D+01 -0.590815D+01  0.420866D+00  0.131606D+01
      2  -0.153717D+01  0.892827D+00  0.693180D-01  0.445186D+01  0.117787D+01
      3   0.662878D+01  0.341006D+01  0.583884D+01 -0.487272D+01 -0.249393D+01
      4   0.142388D+02  0.700610D+01  0.120877D+02 -0.870396D+01 -0.499646D+01
      5   0.528454D+01  0.861598D+01  0.354790D+01 -0.400311D+01 -0.302623D+01
      6  -0.507598D+01 -0.624163D+01 -0.470695D+01  0.406374D+01  0.463095D+01
               106           107           108           109           110 
      1  -0.714936D+01  0.131628D+01  0.243437D+01 -0.927928D+01  0.791692D+00
      2   0.316174D+01  0.132015D+01 -0.251960D+01  0.742215D+01 -0.785278D+00
      3   0.398762D+01 -0.263643D+01  0.852287D-01  0.185714D+01 -0.641359D-02
      4   0.107564D+02 -0.836021D+01 -0.807517D+01 -0.697381D+01 -0.364316D+01
      5   0.957043D+01 -0.567127D+01 -0.878653D+01  0.120728D+01 -0.170093D+00
      6  -0.748540D+01  0.668517D+01  0.778566D+01  0.858144D+00  0.339599D+00
               111           112           113           114           115 
      1  -0.396796D+00  0.397738D+01 -0.948006D+01  0.380129D+00  0.537098D+00
      2   0.491542D-01 -0.230264D+01  0.141553D+02 -0.256000D+00 -0.350963D+00
      3   0.347642D+00 -0.167474D+01 -0.467525D+01 -0.124128D+00 -0.186134D+00
      4   0.629410D+00  0.581413D+01  0.706340D+01 -0.600765D+00  0.750742D+00
      5  -0.338369D+01 -0.833144D+00  0.119402D-01  0.186749D+01  0.963895D+00
      6   0.622297D+00 -0.307496D+00 -0.118763D+01  0.285096D+01  0.850720D+00
               116           117 
      1   0.678530D+00 -0.238218D+01
      2  -0.360099D+00  0.128691D+01
      3  -0.318431D+00  0.109527D+01
      4   0.250226D+00  0.983233D+00
      5   0.121156D+01  0.162385D+00
      6   0.330925D+01 -0.505942D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.213675D+01      0.543108D+01      0.181161D+02
   x         -0.196944D+01     -0.500581D+01     -0.166976D+02
   y          0.818548D+00      0.208054D+01      0.693994D+01
   z          0.130346D+00      0.331305D+00      0.110512D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.508101D+02      0.752929D+01      0.837746D+01
   aniso      0.146168D+02      0.216599D+01      0.240999D+01
   xx         0.546564D+02      0.809924D+01      0.901162D+01
   yx        -0.115539D+01     -0.171211D+00     -0.190498D+00
   yy         0.565124D+02      0.837427D+01      0.931763D+01
   zx        -0.526764D+00     -0.780583D-01     -0.868516D-01
   zy        -0.603703D+00     -0.894596D-01     -0.995372D-01
   zz         0.412617D+02      0.611436D+01      0.680314D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.552421D+02      0.818604D+01      0.910819D+01
   aniso      0.158747D+02      0.235239D+01      0.261739D+01
   xx         0.595154D+02      0.881927D+01      0.981276D+01
   yx        -0.105219D+01     -0.155919D+00     -0.173483D+00
   yy         0.613926D+02      0.909744D+01      0.101223D+02
   zx        -0.437626D+00     -0.648494D-01     -0.721547D-01
   zy        -0.576699D+00     -0.854579D-01     -0.950847D-01
   zz         0.448184D+02      0.664140D+01      0.738956D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.69331513         -2.64205114          1.60562862
     6          0.39873011         -0.71668640          1.14367371
     6          0.33292046          0.26468966         -1.59887574
     8         -0.07488828         -1.07544357         -3.38344942
     7          0.41460922          1.43496845          2.90440186
     8          0.83822232          2.73265519         -1.81446825
     1          2.23119114         -1.65856144          1.31066248
     1         -1.48585385         -3.49873772          3.46899664
     1         -3.54461588         -1.73251840          1.50460995
     1         -1.63870072         -4.11799966          0.17469475
     1         -1.35445702          1.83352113          3.52217324
     1          1.50278487          1.09733708          4.43765136
     1          1.05069201          3.33878048         -0.06881541

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.213675D+01      0.543108D+01      0.181161D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.213675D+01      0.543108D+01      0.181161D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.508101D+02      0.752929D+01      0.837746D+01
   aniso      0.146168D+02      0.216599D+01      0.240999D+01
   xx         0.427656D+02      0.633721D+01      0.705110D+01
   yx         0.441142D+01      0.653704D+00      0.727344D+00
   yy         0.539390D+02      0.799294D+01      0.889334D+01
   zx        -0.346574D-01     -0.513569D-02     -0.571423D-02
   zy         0.155618D+01      0.230602D+00      0.256579D+00
   zz         0.557258D+02      0.825771D+01      0.918794D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.552421D+02      0.818604D+01      0.910819D+01
   aniso      0.158747D+02      0.235239D+01      0.261739D+01
   xx         0.465836D+02      0.690298D+01      0.768060D+01
   yx         0.494502D+01      0.732776D+00      0.815323D+00
   yy         0.586413D+02      0.868974D+01      0.966864D+01
   zx        -0.193507D+00     -0.286747D-01     -0.319049D-01
   zy         0.155555D+01      0.230509D+00      0.256475D+00
   zz         0.605014D+02      0.896539D+01      0.997534D+01

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-F16-10\Freq\RLC-PBEPBE\Gen\C3H7N1O2\PIERPA\16-Aug-2021\0\
 \#P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight)
  Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=03650000
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 9771,-0.00244859,0.00082506,0.00170012,0.00168081,-0.00022524,-0.01173
 262,0.00047534,0.02862067\\-0.00001157,0.00000401,0.00000150,-0.000022
 75,-0.00000979,0.00000839,0.00003904,0.00000852,-0.00000849,-0.0000063
 8,0.00000937,-0.00000008,-0.00000782,0.00000467,0.00000202,0.00001611,
 -0.00002278,0.00000289,0.00000096,0.00000698,-0.00000471,0.00000210,-0
 .00000291,0.00000178,0.00000322,-0.00000191,-0.00000043,0.00000218,-0.
 00000264,-0.00000076,0.00000289,-0.00000205,0.00000089,0.00000159,0.00
 000087,-0.00000240,-0.00001958,0.00000766,-0.00000059\\\@


 ERWIN WITH HIS PSI CAN DO
 CALCULATIONS QUITE A FEW.
 BUT ONE THING HAS NOT BEEN SEEN
 JUST WHAT DOES PSI REALLY MEAN.
 -- WALTER HUCKEL, TRANS. BY FELIX BLOCH
 Job cpu time:       0 days  1 hours 25 minutes 53.4 seconds.
 Elapsed time:       0 days  0 hours 10 minutes 46.4 seconds.
 File lengths (MBytes):  RWF=    126 Int=      0 D2E=      0 Chk=      5 Scr=      2
 Normal termination of Gaussian 16 at Mon Aug 16 21:26:14 2021.
